%chk=000150434.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150434

1 1
 O   4.1999999E-03  -3.276000      0.1457000    
 O   -2.683400      0.7432000     -2.8300000E-02
 O   -2.596300      -2.012700     -0.2212000    
 O   -3.867600       2.702800     -9.0300001E-02
 N    2.927000       1.305600     -0.3841000    
 C    2.197400      0.9082000      0.8485000    
 C   0.9374000      0.1483000      0.5680000    
 C    2.051600       2.203700      -1.267500    
 C    4.204900       2.078300     -3.2900002E-02
 C    3.324000      7.0000000E-02  -1.202200    
 C   0.9656000      -1.256700      0.4674000    
 C  -0.2870000      0.8142000      0.4013000    
 C  -0.2223000      -1.933400      0.2061000    
 C   -1.445000      8.1400000E-02  0.1410000    
 C   -1.456700      -1.312100      3.4100000E-02
 C    1.966000      -2.259500      0.5697000    
 C  -0.3817000       2.262700      0.4945000    
 C    1.331400      -3.463100      0.3671000    
 C   -1.556600       2.875700      0.3327000    
 C   -2.795300       2.126700      5.6000002E-02
 C   -2.617800      -2.807200      -1.405700    
 H    2.039600       1.795400       1.470700    
 H    2.882000      0.2821000       1.436900    
 H    1.829200       3.127200     -0.7319000    
 H    2.650800       2.468600      -2.146900    
 H    1.176700       1.658600      -1.623600    
 H    4.710900       2.358600     -0.9614000    
 H    3.920600       2.969900      0.5336000    
 H    4.842500       1.426400      0.5713000    
 H    3.936200      0.4128000      -2.043700    
 H    3.926400     -0.5874000     -0.5722000    
 H    2.432700     -0.4153000      -1.604200    
 H    3.016900      -2.138800      0.7874000    
 H   0.4553000       2.879100      0.7845000    
 H    1.665700      -4.490200      0.3556000    
 H   -1.638400       3.952300      0.4362000    
 H   -2.112200      -2.302200      -2.235900    
 H   -3.662400      -2.969700      -1.685700    
 H   -2.158400      -3.781500      -1.216700    


%chk=000150434-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150434

1 1
O -0.086373 -3.281780 -0.263925
O -2.727848 0.822362 -0.249140
O -2.748881 -1.759360 -0.699880
O -4.028868 2.733586 -0.189083
N 3.116470 1.387590 -0.413203
C 2.207998 0.862006 0.802958
C 0.936160 0.176019 0.411582
C 2.329501 2.332027 -1.312225
C 4.309862 2.125222 0.185103
C 3.614716 0.213035 -1.246526
C 0.907615 -1.232212 0.218532
C -0.316902 0.877172 0.291870
C -0.305694 -1.890737 -0.150858
C -1.506237 0.179957 -0.094508
C -1.540742 -1.236130 -0.338211
C 1.903761 -2.290818 0.338223
C -0.487873 2.293210 0.587579
C 1.273697 -3.481268 0.051405
C -1.694703 2.937012 0.463400
C -2.904248 2.254130 0.001356
C -2.904322 -3.215036 -0.955892
H 2.048257 1.765518 1.413064
H 2.885850 0.188164 1.353774
H 2.020086 3.215109 -0.734512
H 2.973399 2.644601 -2.149027
H 1.442051 1.807289 -1.692458
H 4.974863 2.460784 -0.625778
H 3.951727 2.996643 0.754447
H 4.857676 1.444475 0.854732
H 4.217440 0.600721 -2.082696
H 4.234675 -0.441069 -0.615109
H 2.751694 -0.348531 -1.630055
H 2.946494 -2.199171 0.635192
H 0.363813 2.874065 0.957306
H 1.605133 -4.515991 0.026997
H -1.814360 3.994834 0.711243
H -2.248657 -3.534047 -1.782605
H -3.960825 -3.320747 -1.235084
H -2.682505 -3.792634 -0.044089


