%chk=000132489.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132489

0 1
 O   0.5662000     -0.3251000       1.461400    
 O    3.748100     -0.3346000       1.476400    
 O   -1.845800     -6.0600001E-02  -1.522300    
 O   -5.143100      -2.390200     -0.6607000    
 N    1.940900     -0.4064000     -0.3988000    
 N   -1.084600       1.256300      0.2420000    
 N   -4.259600     -0.2220000     -0.6322000    
 N    4.224500      -2.584400       1.399000    
 C    2.559100      -1.689900     -9.3099996E-02
 C    3.237200      -2.112200      -1.391200    
 C    2.405300      0.1091000      -1.684100    
 C    3.577300     -0.7838000      -2.062300    
 C   0.2829000       1.381500     -0.1744000    
 C   0.9317000      0.1384000      0.3799000    
 C   0.9266000       2.645800      0.3744000    
 C   -3.379100      0.5508000      0.1974000    
 C    3.554000      -1.451500       1.002700    
 C   -3.381600     -0.1938000       1.519000    
 C   -2.041100      0.5420000     -0.4699000    
 C   -3.690500      -1.641000       1.136400    
 C   0.3191000       3.914900     -0.2282000    
 C   -4.476200      -1.506500     -0.1450000    
 C    1.028500       5.163100      0.2735000    
 H    1.807100      -2.408500      0.2501000    
 H    4.121100      -2.743900      -1.266200    
 H    2.520100      -2.656000      -2.018800    
 H    1.590700      1.9999999E-04  -2.408500    
 H    2.685700       1.162800      -1.609800    
 H    3.706600     -0.8729000      -3.144400    
 H    4.506200     -0.3821000      -1.639800    
 H   0.2917000       1.386800      -1.267200    
 H   0.8279000       2.679500       1.467600    
 H    2.003800       2.629200      0.1673000    
 H   -3.752400       1.575600      0.2815000    
 H   -1.352700       1.681400       1.125300    
 H   -4.197200      0.1859000       2.147700    
 H   -2.457100     -0.1165000       2.098300    
 H   -4.278200      -2.148000       1.905500    
 H   -2.774600      -2.203800      0.9304000    
 H   0.3916000       3.878700      -1.321500    
 H  -0.7448000       3.984100      2.5100000E-02
 H   -4.653600      0.1148000      -1.505200    
 H    4.928500      -2.545100       2.128600    
 H    4.035800      -3.497400      0.9977000    
 H   0.9520000       5.246400       1.362300    
 H    2.089200       5.147200      3.3000000E-03
 H   0.5791000       6.057800     -0.1685000    


%chk=000132489-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132489

0 1
O 1.435968 -0.585680 1.765196
O 5.850568 -0.761384 0.599829
O -2.238550 0.569060 -1.137071
O -6.401450 1.315425 0.004340
N 2.497440 -0.647902 -0.302882
N -0.820818 0.447676 0.710087
N -4.307115 0.937520 1.017566
N 4.208941 -0.449543 2.228531
C 3.557118 -1.607163 0.155278
C 4.124201 -2.167183 -1.163513
C 2.610181 -0.352925 -1.765142
C 3.962370 -0.990188 -2.159091
C 0.415628 0.706610 -0.040820
C 1.490850 -0.239605 0.523975
C 0.899375 2.184318 0.105570
C -3.217751 -0.046106 1.044324
C 4.657453 -0.891918 1.006723
C -3.935355 -1.345512 0.533738
C -2.056756 0.356289 0.101722
C -5.126825 -0.829838 -0.309955
C -0.076767 3.210559 -0.509760
C -5.400308 0.585623 0.224661
C 0.418776 4.660816 -0.328534
H 3.076567 -2.373486 0.791229
H 5.178861 -2.457321 -1.042173
H 3.535109 -3.043760 -1.488225
H 1.767878 -0.823334 -2.308798
H 2.583298 0.734261 -1.953190
H 3.967438 -1.314211 -3.212564
H 4.785850 -0.271173 -2.009446
H 0.194844 0.502838 -1.104904
H 1.048222 2.397294 1.183125
H 1.893454 2.286695 -0.376167
H -2.834898 -0.180706 2.074513
H -0.680381 0.168103 1.687931
H -4.299236 -1.914900 1.406725
H -3.248158 -1.988836 -0.038410
H -6.033883 -1.449335 -0.226314
H -4.863526 -0.739363 -1.378142
H -0.217581 2.987658 -1.585199
H -1.073247 3.094599 -0.043491
H -4.214428 1.883647 1.389685
H 4.863506 0.029505 2.847349
H 3.208198 -0.541026 2.465552
H 0.529857 4.914642 0.742714
H 1.402192 4.814031 -0.812261
H -0.290812 5.381330 -0.773611


