%chk=000157674.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157674

0 1
 O    2.647600       1.847300       1.443600    
 N   -2.402500       1.200400     -0.9668000    
 N    2.496000       1.866500     -0.8704000    
 N    5.478300       1.770000      0.7319000    
 N   -3.930700     -0.2018000      -1.739900    
 N   -2.774200      0.9826000       1.420600    
 N   -4.571900     -0.6025000       1.880700    
 N   -5.754000      -1.744900      0.1415000    
 C   5.8400001E-02   1.497000     -0.9345000    
 C   -1.313500       2.172600     -0.9792000    
 C    1.202900       2.504300     -0.9379000    
 C    4.462300      0.8882000      0.1560000    
 C    4.473200     -0.4654000      0.8812000    
 C    3.118700       1.587700      0.3374000    
 C   -3.019900      0.7012000      0.1321000    
 C    3.453800      -1.434100      0.3293000    
 C   -3.971200     -0.1732000     -0.3685000    
 C   -2.972300      0.6398000      -2.066900    
 C   -4.764800     -0.8385000      0.5606000    
 C    2.177300      -1.455100      0.8672000    
 C    3.815000      -2.283300     -0.7039000    
 C    1.236100      -2.349900      0.3579000    
 C    2.873900      -3.178000      -1.213400    
 C   -3.602900      0.2804000       2.223600    
 C    1.584400      -3.211300     -0.6823000    
 H   0.1262000      0.8687000     -3.7300002E-02
 H   0.1676000      0.8150000      -1.787800    
 H   -1.424400       2.772900      -1.889700    
 H   -1.455000       2.839100     -0.1210000    
 H    1.101200       3.196300     -9.4499998E-02
 H    1.184400       3.094100      -1.860500    
 H    4.683900      0.7408000     -0.9073000    
 H    5.471300     -0.9196000      0.8126000    
 H    4.289100     -0.3313000       1.956600    
 H    2.942600       1.606200      -1.744400    
 H   -2.657800      0.8715000      -3.075500    
 H    6.395600       1.333200      0.6503000    
 H    5.526700       2.633200      0.1915000    
 H    1.894400     -0.7977000       1.683700    
 H    4.815900      -2.262900      -1.125300    
 H   0.2322000      -2.375900      0.7718000    
 H    3.144700      -3.848200      -2.024000    
 H   -3.475900      0.4446000       3.288300    
 H   0.8514000      -3.907600      -1.079100    
 H   -5.900000      -1.922500     -0.8430000    
 H   -6.318100      -2.215700      0.8358000    


%chk=000157674-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157674

0 1
O 3.483005 2.810879 0.712269
N -2.470991 1.347232 -1.028030
N 2.527199 1.565597 -1.008662
N 5.934926 1.683022 0.104226
N -4.377968 0.381324 -1.879369
N -2.342244 0.132166 1.143056
N -4.205064 -1.456587 1.415934
N -5.880037 -1.770255 -0.222331
C 0.036943 1.388043 -1.070073
C -1.271604 2.197946 -0.932312
C 1.266109 2.322072 -1.039604
C 4.736168 0.872528 -0.121208
C 4.517733 -0.252353 0.970893
C 3.534270 1.840066 -0.108620
C -2.903608 0.424527 -0.068425
C 3.367538 -1.194703 0.662123
C -4.082849 -0.156260 -0.612784
C -3.390628 1.273190 -2.086578
C -4.738054 -1.137481 0.188594
C 2.105181 -1.044508 1.293211
C 3.518038 -2.219752 -0.310848
C 1.021655 -1.890230 0.963873
C 2.437768 -3.068637 -0.644028
C -3.062535 -0.816371 1.815383
C 1.184474 -2.905431 -0.007850
H 0.101031 0.660682 -0.242831
H 0.012023 0.813806 -2.017802
H -1.344368 2.968775 -1.722010
H -1.288328 2.710220 0.047168
H 1.264175 2.955390 -0.133828
H 1.250987 3.002385 -1.916547
H 4.798625 0.368707 -1.108302
H 5.469351 -0.817771 1.024985
H 4.373693 0.252889 1.943877
H 2.626424 0.749887 -1.616584
H -3.291166 1.894872 -2.974538
H 6.775054 1.155311 0.353505
H 5.749994 2.487284 0.715135
H 1.971002 -0.256537 2.044564
H 4.492298 -2.364321 -0.796303
H 0.053058 -1.749545 1.456319
H 2.574403 -3.860256 -1.389966
H -2.682434 -1.101385 2.801360
H 0.346247 -3.563755 -0.262066
H -6.289731 -1.540404 -1.125173
H -6.311763 -2.458059 0.391297


