%chk=000073337.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073337

1 1
 O   -1.282700      -2.479300     -0.6528000    
 O   0.8408000      -4.075400     -0.4886000    
 O   -2.760900      -1.237000      0.7436000    
 O   -4.779600      0.4914000      0.5474000    
 N    2.966300       2.043500      7.1099997E-02
 C    1.520100       1.509800      0.3088000    
 C    3.940300       1.087400      0.7798000    
 C    1.342400      1.3400000E-02  8.3800003E-02
 C   0.4823000       2.303800     -0.5086000    
 C    3.859500     -0.3184000      0.2006000    
 C    2.456700     -0.8460000      7.7100001E-02
 C    3.139600       3.422700      0.7230000    
 C    3.326200       2.174700      -1.409900    
 C   2.7200000E-02 -0.5043000     -4.9100000E-02
 C  -0.9163000       1.803200     -0.2219000    
 C   -1.130400      0.4226000     -8.8000000E-03
 C    2.266900      -2.219600     -0.1104000    
 C  -0.1202000      -1.890100     -0.2347000    
 C   0.9868000      -2.737900     -0.2654000    
 C   -1.991100       2.705300     -0.2207000    
 C   -2.447100     -1.0000000E-03  0.2460000    
 C   -3.511500      0.9052000      0.2621000    
 C   -3.284800       2.255900      2.3900000E-02
 C   0.6560000      -4.905500      0.6555000    
 C   -5.586400      7.5400002E-02 -0.5517000    
 H    1.332800       1.675200       1.380300    
 H    3.670300       1.087600       1.843500    
 H    4.952600       1.494600      0.6755000    
 H   0.6473000       2.194700      -1.587400    
 H   0.5385000       3.369500     -0.2653000    
 H    4.442500     -0.9847000      0.8489000    
 H    4.331800     -0.3471000     -0.7886000    
 H    2.861200       3.347600       1.778000    
 H    4.188900       3.718100      0.6256000    
 H    2.504100       4.145400      0.2063000    
 H    3.056800       1.253600      -1.931700    
 H    2.776400       3.020400      -1.832400    
 H    4.401600       2.361400      -1.486400    
 H    3.125900      -2.886100     -0.1466000    
 H   -1.822400       3.763100     -0.4053000    
 H   -4.107600       2.965200      3.6800001E-02
 H   -1.136400      -3.428200     -0.8065000    
 H   -3.713500      -1.285200      0.9319000    
 H  -0.2377000      -4.605400       1.211900    
 H    1.535300      -4.860500       1.305900    
 H   0.5257000      -5.936000      0.3141000    
 H   -6.554000     -0.2523000     -0.1621000    
 H   -5.119900     -0.7623000      -1.080000    
 H   -5.750900      0.9090000      -1.241800    


%chk=000073337-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000073337

1 1
O -1.252241 -2.587342 -0.865613
O 0.750299 -4.202742 -0.319943
O -2.766130 -1.215790 0.881860
O -4.809308 0.362101 0.425953
N 2.808262 1.976576 0.170540
C 1.327934 1.463993 0.195471
C 3.605525 1.170653 1.221207
C 1.261556 -0.064716 0.188049
C 0.480442 2.016139 -0.979246
C 3.723543 -0.301039 0.827282
C 2.377257 -0.892489 0.435258
C 2.850993 3.444956 0.576260
C 3.440627 1.819237 -1.207545
C -0.030377 -0.620725 -0.114910
C -0.963931 1.621743 -0.704800
C -1.193713 0.291599 -0.225786
C 2.249236 -2.302195 0.318088
C -0.109362 -2.015457 -0.339595
C 1.027066 -2.850086 -0.090816
C -2.022798 2.527726 -0.878077
C -2.504597 -0.041242 0.195144
C -3.580304 0.879111 -0.013705
C -3.353476 2.149708 -0.564456
C 1.807955 -5.189428 -0.063526
C -6.012650 1.184321 0.247186
H 0.921342 1.874624 1.143713
H 3.050307 1.283220 2.168678
H 4.592391 1.655003 1.321038
H 0.830203 1.567694 -1.930010
H 0.547681 3.115089 -1.066064
H 4.132475 -0.839025 1.703617
H 4.473182 -0.430826 0.021782
H 2.488113 3.543372 1.610636
H 3.890293 3.802868 0.510407
H 2.214710 4.035157 -0.097653
H 3.254811 0.802450 -1.579344
H 2.994253 2.551781 -1.894224
H 4.522820 2.004742 -1.120445
H 3.111749 -2.943367 0.525114
H -1.825952 3.535015 -1.260299
H -4.174775 2.854470 -0.719513
H -1.138945 -3.576413 -0.887184
H -3.747566 -1.272501 1.045126
H 2.117676 -5.161663 0.997563
H 2.677295 -5.010102 -0.723104
H 1.357621 -6.164165 -0.296227
H -6.840448 0.576266 0.637765
H -6.179022 1.403783 -0.823619
H -5.932623 2.125314 0.822669


