%chk=000045676.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045676

1 1
 O   -2.592400      0.2734000      0.8254000    
 O   -2.755500      3.1700000E-02  -1.481400    
 N    3.294900     -0.1258000     -0.6053000    
 N   -4.513700     -0.5714000     -9.3099996E-02
 C    2.300200     -0.4403000      0.4708000    
 C    1.974900      -1.933900      0.3397000    
 C    1.072700      0.4489000      0.4550000    
 C   0.8211000      -2.313100       1.257200    
 C  -0.4418000      -1.565100      0.8423000    
 C  -0.2158000     -8.4899999E-02  0.6605000    
 C    3.793200       1.313700     -0.4635000    
 C    2.653200     -0.2871000      -1.984800    
 C    4.495200      -1.069700     -0.5112000    
 C    1.211000       1.840100      0.3088000    
 C   -1.331700      0.7680000      0.6549000    
 C   9.5299996E-02   2.678200      0.3178000    
 C   -1.176400       2.141800      0.4845000    
 C   -3.251800     -8.4200002E-02 -0.3647000    
 C   -5.432900      -1.020500      -1.112900    
 H    2.803200     -0.2810000       1.435700    
 H    2.824000      -2.554600      0.6461000    
 H    1.683800      -2.244500     -0.6669000    
 H    1.078800      -2.070500       2.296100    
 H   0.6405000      -3.393200       1.215000    
 H   -1.207000      -1.744000       1.607000    
 H  -0.8126000      -1.976300     -0.1048000    
 H    3.912500       1.569800      0.5935000    
 H    4.800700       1.350200     -0.8979000    
 H    3.214100       1.988400      -1.099100    
 H    2.512500      -1.342600      -2.225000    
 H    1.711100      0.2625000      -2.038400    
 H    3.352100      0.1300000      -2.719000    
 H    4.870600      -1.057300      0.5163000    
 H    4.215100      -2.076700     -0.8306000    
 H    5.270300     -0.7107000      -1.196600    
 H    2.122400       2.402300      0.3933000    
 H   0.2218000       3.754600      0.2413000    
 H   -2.040500       2.800400      0.4979000    
 H   -4.811900     -0.6183000      0.8763000    
 H   -6.344600     -0.4230000      -1.037200    
 H   -5.671000      -2.069100     -0.9192000    
 H   -5.002600     -0.9161000      -2.111700    


%chk=000045676-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045676

1 1
O -2.495189 0.507543 0.633437
O -1.836589 -0.312724 -1.507491
N 2.825455 -0.272962 -0.889147
N -4.066168 -0.393301 -0.743100
C 2.404337 -0.368227 0.685907
C 2.184376 -1.860963 1.090756
C 1.225489 0.545040 0.956865
C 0.803709 -2.121472 1.736445
C -0.319779 -1.480542 0.892695
C -0.095978 0.022209 0.857868
C 3.112752 1.177532 -1.268661
C 1.726450 -0.791320 -1.816222
C 4.110878 -1.066953 -1.105500
C 1.428533 1.915415 1.267859
C -1.167392 0.948028 0.871654
C 0.330665 2.791252 1.398179
C -0.976085 2.314099 1.152277
C -2.738285 -0.107706 -0.657154
C -4.669840 -1.011679 -1.932376
H 3.315083 0.034791 1.166325
H 2.989581 -2.168858 1.780460
H 2.265279 -2.526081 0.210733
H 0.776591 -1.704226 2.759896
H 0.651011 -3.212096 1.824993
H -1.308115 -1.687143 1.341288
H -0.350142 -1.921664 -0.121779
H 3.857347 1.595572 -0.574360
H 3.511687 1.195637 -2.295120
H 2.185370 1.761999 -1.216249
H 1.599512 -1.873087 -1.674076
H 0.778312 -0.273552 -1.604412
H 2.035029 -0.596023 -2.855633
H 4.906580 -0.642273 -0.473707
H 3.955089 -2.121723 -0.844592
H 4.400625 -0.992137 -2.165296
H 2.444922 2.297970 1.420250
H 0.488941 3.840912 1.662054
H -1.843701 2.979567 1.185774
H -4.654849 -0.129982 0.049392
H -5.423784 -0.342137 -2.382071
H -5.149125 -1.972309 -1.674399
H -3.875580 -1.196323 -2.671665


