%chk=000135917.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135917

0 1
 O    1.052400      -3.046100     -7.9200000E-02
 O   -3.646500      -3.325700      0.3484000    
 O  -0.5522000       1.794100     -0.3111000    
 O   -4.989900      -1.119500      0.2941000    
 O    2.543300      -1.657100      0.8377000    
 N    5.632900       1.062900     -0.1167000    
 N   0.9739000     -0.3094000     -0.2815000    
 C    4.679400      4.0399998E-02  0.2958000    
 C   -1.473700     -0.3763000     -6.5300003E-02
 C    3.280200      0.3880000     -0.2024000    
 C  -0.2277000      -1.012000     -0.1244000    
 C   -2.635600      -1.134600      9.3099996E-02
 C    5.225800       2.378600      0.3802000    
 C    6.978400      0.7354000      0.3585000    
 C   -2.869000       1.753000     -0.1076000    
 C   -1.548000       1.095100     -0.1717000    
 C   -4.031000      0.9946000      5.0700001E-02
 C   -3.956600     -0.4768000      0.1571000    
 C    2.245700     -0.6583000      0.1907000    
 C  -0.1485000      -2.401400     -2.4800001E-02
 C   -2.551500      -2.528600      0.1927000    
 C   -1.307900      -3.158100      0.1335000    
 C    6.175100       3.464000     -9.8300003E-02
 C    7.422000     -0.6274000     -0.1457000    
 C   -2.953100       3.147000     -0.2073000    
 C   -5.277100       1.630300      0.1095000    
 C   -4.196800       3.776400     -0.1484000    
 C   -5.356300       3.019600      9.7000003E-03
 C    1.512400      -3.448300      -1.367000    
 H    4.669800     -8.3600000E-02   1.387100    
 H    4.927900     -0.9333000     -0.1400000    
 H    3.269500      0.4924000      -1.294200    
 H    2.901400       1.313200      0.2434000    
 H    4.258900       2.679400     -3.0900000E-02
 H    5.148900       2.402400       1.474300    
 H    7.710300       1.448500     -3.4600001E-02
 H    7.044000      0.7616000       1.453600    
 H   0.8813000      0.6417000     -0.6276000    
 H   -1.232600      -4.240300      0.2109000    
 H    5.729600       4.448800      8.4399998E-02
 H    6.369500       3.389500      -1.173900    
 H    7.129100       3.451600      0.4377000    
 H    6.934900      -1.450300      0.3867000    
 H    7.245100     -0.7417000      -1.220800    
 H    8.498900     -0.7457000      2.0400001E-02
 H   -2.065600       3.761700     -0.3310000    
 H   -6.196600       1.064500      0.2323000    
 H   -4.261400       4.857900     -0.2260000    
 H   -6.323300       3.512200      5.5300001E-02
 H   -3.368800      -4.256400      0.3956000    
 H    2.522100      -3.854300      -1.259600    
 H    1.548100      -2.600400      -2.058500    
 H   0.8635000      -4.231200      -1.771900    


%chk=000135917-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000135917

0 1
O 0.691947 -3.627271 -1.064754
O -3.651665 -3.362599 0.839775
O -0.432528 1.534713 -0.976625
O -4.941161 -1.062234 0.848441
O 2.396760 -1.873340 0.556354
N 5.441147 1.178458 0.259181
N 0.988133 -0.612570 -0.841004
C 4.252118 0.378949 0.647440
C -1.423249 -0.586745 -0.298470
C 3.321731 0.115835 -0.558177
C -0.215181 -1.315285 -0.583709
C -2.616662 -1.258086 0.159296
C 5.141587 2.634905 0.165835
C 6.624561 0.891260 1.117469
C -2.647697 1.660120 -0.097903
C -1.436320 0.895370 -0.477435
C -3.812552 0.991410 0.361517
C -3.858622 -0.503345 0.478604
C 2.217935 -0.885934 -0.214585
C -0.266186 -2.751684 -0.580314
C -2.555104 -2.677087 0.327124
C -1.409119 -3.394545 -0.073422
C 6.104271 3.390580 -0.770127
C 7.296960 -0.453548 0.781778
C -2.640680 3.075229 -0.212060
C -4.961913 1.743261 0.706042
C -3.784264 3.816444 0.138233
C -4.948499 3.147916 0.599492
C 1.592760 -3.247665 -2.169744
H 3.672329 0.863490 1.471565
H 4.580838 -0.601096 1.031362
H 3.947111 -0.305530 -1.370208
H 2.888113 1.055358 -0.948748
H 4.114010 2.745271 -0.227854
H 5.141503 3.114709 1.178089
H 7.360160 1.700098 0.957003
H 6.354989 0.919993 2.203907
H 0.811034 0.364446 -1.158523
H -1.394794 -4.490726 -0.052846
H 5.823711 4.458778 -0.832184
H 6.068356 2.954364 -1.783563
H 7.149929 3.340841 -0.416411
H 6.613819 -1.307840 0.937694
H 7.619386 -0.462965 -0.274032
H 8.182546 -0.612939 1.425156
H -1.731457 3.561952 -0.576789
H -5.845816 1.198933 1.052400
H -3.777185 4.908332 0.054444
H -5.838236 3.725961 0.871609
H -3.442471 -4.329581 0.920483
H 1.792230 -4.192867 -2.698101
H 2.533531 -2.839851 -1.769562
H 1.112459 -2.523646 -2.850145


