%chk=000030362.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030362

0 1
 O  -0.4335000      0.5155000      0.3654000    
 O   -1.635900      -1.177900       1.345900    
 N   -2.669200      0.6972000      0.4523000    
 C   -4.039300      0.3419000      0.7488000    
 C   -4.883700       1.589800       1.028200    
 C   -4.647000     -0.4990000     -0.3790000    
 C   -5.154700       2.407400     -0.2348000    
 C   -4.918300      0.3221000      -1.639600    
 C   -5.769400       1.551800      -1.338300    
 C   -1.586200     -9.2799999E-02  0.7762000    
 C   0.7791000     -0.1958000      0.6377000    
 C    1.970000      0.6398000      0.1485000    
 C   0.7373000      -1.542400     -0.1009000    
 C    3.239600      0.1870000      0.4131000    
 C    1.714900       1.804900     -0.5329000    
 C    4.321600      0.9468000     -3.1399999E-02
 C    4.100200       2.135700     -0.7267000    
 C   0.8114000     -0.3387000       2.116000    
 C    2.796900       2.564600     -0.9775000    
 C    1.335800      -2.628600      0.4883000    
 C   0.1036000      -1.600300      -1.317400    
 C    5.708200      0.4677000      0.2487000    
 C    5.242800       2.965600      -1.212800    
 C    1.297900      -3.851200     -0.1821000    
 C   6.5800004E-02  -2.822900      -1.987900    
 C   0.6630000      -3.948400      -1.420200    
 C   0.8494000     -0.4396000       3.312500    
 H   -4.023000     -0.2714000       1.658600    
 H   -4.389300       2.225100       1.773000    
 H   -5.843900       1.280900       1.460700    
 H   -5.593900     -0.9306000     -3.0099999E-02
 H   -3.989300      -1.340100     -0.6292000    
 H   -4.224500       2.860800     -0.5969000    
 H   -5.832700       3.234500      5.7999999E-03
 H   -5.427400     -0.3036000      -2.381500    
 H   -3.967900      0.6355000      -2.088500    
 H   -6.774300       1.233200      -1.034700    
 H   -5.886600       2.151500      -2.248000    
 H   -2.485400       1.553200     -6.1799999E-02
 H    3.419100     -0.7317000      0.9617000    
 H   0.7177000       2.169600     -0.7528000    
 H    2.607000       3.487600      -1.519100    
 H    1.849900      -2.587500       1.442000    
 H  -0.3498000     -0.7339000      -1.788300    
 H    6.251300       1.195300      0.8604000    
 H    5.707700     -0.4799000      0.7986000    
 H    6.253500      0.2976000     -0.6854000    
 H    4.897700       3.864800      -1.735200    
 H    5.862700       3.297900     -0.3738000    
 H    5.858300       2.398600      -1.918700    
 H    1.765900      -4.727000      0.2579000    
 H  -0.4244000      -2.897600      -2.954100    
 H   0.6352000      -4.899900      -1.943000    
 H   0.8829000     -0.5297000       4.373000    


%chk=000030362-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030362

0 1
O -0.456691 0.566015 0.559800
O -1.830575 -1.032257 1.671166
N -2.708729 0.825811 0.539960
C -4.130544 0.539153 0.840758
C -4.958982 1.839045 0.694080
C -4.695578 -0.585046 -0.071524
C -5.098047 2.292526 -0.781453
C -4.822876 -0.131475 -1.543834
C -5.671135 1.158035 -1.665621
C -1.697042 0.012279 0.989012
C 0.802408 -0.227116 0.850262
C 1.942201 0.687823 0.337137
C 0.728086 -1.560965 0.084248
C 3.182502 0.122735 -0.041987
C 1.800997 2.093153 0.331716
C 4.276362 0.926919 -0.438931
C 4.127644 2.347581 -0.457048
C 0.969137 -0.383062 2.311212
C 2.884315 2.903604 -0.070174
C 0.760788 -2.813223 0.736496
C 0.609256 -1.514283 -1.328172
C 5.589722 0.278919 -0.840283
C 5.275302 3.246925 -0.879561
C 0.686244 -4.008375 -0.014037
C 0.525753 -2.706289 -2.076788
C 0.568043 -3.960125 -1.421294
C 1.178526 -0.458367 3.521634
H -4.166872 0.188710 1.889524
H -4.512246 2.641350 1.312811
H -5.969959 1.641850 1.101363
H -5.695296 -0.869195 0.316555
H -4.048502 -1.476593 0.015994
H -4.111687 2.605824 -1.185746
H -5.746874 3.187802 -0.833481
H -5.270792 -0.942560 -2.149181
H -3.810812 0.051067 -1.959505
H -6.711227 0.941002 -1.344223
H -5.723887 1.486914 -2.721503
H -2.457379 1.632675 -0.031718
H 3.301610 -0.966690 -0.033807
H 0.850184 2.541712 0.629820
H 2.763858 3.993805 -0.079673
H 0.824873 -2.848868 1.828395
H 0.583313 -0.542246 -1.833368
H 6.422995 0.611834 -0.191406
H 5.529785 -0.820473 -0.774198
H 5.873403 0.540132 -1.878364
H 4.986361 4.310712 -0.833107
H 6.161713 3.108343 -0.230607
H 5.604287 3.030278 -1.914474
H 0.709468 -4.975056 0.501362
H 0.431601 -2.660094 -3.167621
H 0.506189 -4.887795 -2.001653
H 1.335605 -0.530980 4.581737


