%chk=000100303.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100303

0 1
 O   -2.627400       1.313200     -0.4831000    
 O    2.627600       1.313300      0.4813000    
 O   -9.284500     -0.5189000      0.5170000    
 O    9.284500     -0.5190000     -0.5169000    
 N   -2.761500      -1.293000     -0.5088000    
 N    2.761500      -1.292900      0.5090000    
 C  -0.6867000      3.9999999E-04 -0.1264000    
 C   0.6867000      5.0000002E-04  0.1262000    
 C   -1.373400      -1.213100     -0.2529000    
 C    1.373300      -1.213000      0.2530000    
 C   -3.454000      -2.535800     -0.6366000    
 C    3.454000      -2.535600      0.6368000    
 C   -4.926900      -2.309400     -0.9685000    
 C    4.926900      -2.309300      0.9687000    
 C   -1.423700       1.273400     -0.2615000    
 C    1.423700       1.273500      0.2614000    
 C  -0.6868000       2.546500     -0.1263000    
 C   0.6867000       2.546500      0.1260000    
 C   -5.666100      -1.536500      0.1288000    
 C    5.666200      -1.536500     -0.1286000    
 C  -0.6852000      -2.420100     -0.1262000    
 C   0.6852000      -2.420100      0.1263000    
 C   -7.153300      -1.385500     -0.2069000    
 C    7.153300      -1.385500      0.2071000    
 C   -1.373600       3.759900     -0.2522000    
 C    1.373500       3.760000      0.2524000    
 C   -7.918900     -0.6483000      0.8851000    
 C    7.919000     -0.6483000     -0.8850000    
 C  -0.6854000       4.966900     -0.1255000    
 C   0.6851000       4.967000      0.1264000    
 H   -3.390100      -3.115700      0.2923000    
 H   -3.025300      -3.135200      -1.449000    
 H    3.390100      -3.115700     -0.2920000    
 H    3.025400      -3.135000       1.449300    
 H   -5.011800      -1.763500      -1.916600    
 H   -5.408000      -3.284100      -1.115600    
 H    5.011800      -1.763300       1.916800    
 H    5.407900      -3.284000       1.116000    
 H   -3.252000     -0.4293000     -0.7029000    
 H    3.251900     -0.4292000      0.7031000    
 H   -5.229600     -0.5403000      0.2616000    
 H   -5.560400      -2.066100       1.083400    
 H    5.229700     -0.5403000     -0.2615000    
 H    5.560500      -2.066200      -1.083200    
 H   -1.163500      -3.390700     -0.2124000    
 H    1.163600      -3.390600      0.2127000    
 H   -7.608700      -2.371800     -0.3611000    
 H   -7.272300     -0.8498000      -1.157000    
 H    7.608900      -2.371500      0.3617000    
 H    7.269400     -0.8503000       1.157900    
 H   -2.441900       3.789500     -0.4485000    
 H    2.441900       3.789700      0.4487000    
 H   -7.865600      -1.196800       1.831000    
 H   -7.505800      0.3544000       1.035800    
 H    7.873400      -1.198300      -1.830000    
 H    7.508800      0.3530000      -1.051100    
 H   -1.218800       5.908000     -0.2233000    
 H    1.218400       5.908200      0.2246000    
 H   -9.731200     -4.5100000E-02   1.239100    
 H    9.317800     -1.4700000E-02  0.3139000    


%chk=000100303-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100303

0 1
O -2.714383 1.170849 -0.520028
O 2.724789 1.159479 0.585205
O -9.352455 -0.270553 0.469377
O 9.345254 -0.187690 -0.693067
N -2.757158 -1.398573 -0.556894
N 2.760125 -1.408852 0.603074
C -0.706130 -0.130310 -0.118221
C 0.712397 -0.133245 0.173946
C -1.414920 -1.380676 -0.272059
C 1.417317 -1.386632 0.319902
C -3.570373 -2.608383 -0.724714
C 3.573150 -2.620057 0.757522
C -5.036623 -2.242197 -1.032920
C 5.044048 -2.252942 1.043272
C -1.435369 1.131246 -0.262654
C 1.445768 1.125322 0.324539
C -0.690734 2.403217 -0.109614
C 0.706563 2.400335 0.172978
C -5.754457 -1.490437 0.112452
C 5.745571 -1.515592 -0.121350
C -0.678709 -2.610893 -0.120508
C 0.677735 -2.613770 0.162329
C -7.237872 -1.211204 -0.217188
C 7.223434 -1.189256 0.192735
C -1.376444 3.638492 -0.249223
C 1.397255 3.632899 0.312609
C -7.952917 -0.444390 0.898131
C 7.925529 -0.464777 -0.970221
C -0.683665 4.854451 -0.109474
C 0.709492 4.851644 0.172632
H -3.532828 -3.229038 0.197226
H -3.165341 -3.231036 -1.551213
H 3.521685 -3.240239 -0.163857
H 3.180739 -3.243266 1.589773
H -5.073750 -1.633357 -1.958597
H -5.583727 -3.180701 -1.250239
H 5.091645 -1.632115 1.960820
H 5.593988 -3.188439 1.265869
H -3.170109 -0.440696 -0.645730
H 3.173343 -0.451298 0.698861
H -5.236484 -0.532984 0.319818
H -5.684007 -2.093271 1.042075
H 5.204925 -0.577347 -0.356556
H 5.692164 -2.143856 -1.034635
H -1.202570 -3.564524 -0.232140
H 1.198503 -3.569634 0.269789
H -7.776458 -2.163515 -0.390175
H -7.314330 -0.622743 -1.152025
H 7.781708 -2.118995 0.419083
H 7.272187 -0.555003 1.103847
H -2.448008 3.607542 -0.468023
H 2.468880 3.597834 0.530395
H -7.901539 -1.018449 1.849863
H -7.461553 0.540370 1.057434
H 7.946371 -1.103699 -1.869751
H 7.381123 0.471577 -1.222051
H -1.216929 5.805188 -0.218731
H 1.246790 5.800251 0.280664
H -9.842793 0.256155 1.149643
H 9.404455 0.403389 0.099799


