%chk=000165181.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165181

0 1
 O   -2.104900      0.7949000       1.649900    
 O    1.246900       3.752400      0.2795000    
 O   -4.416300     -5.5599999E-02  0.4982000    
 O    2.799900       2.637500      -1.707400    
 N    2.680700      -2.261800      0.4109000    
 C   0.5657000      3.4499999E-02  0.6709000    
 C    1.491600      -1.891600     -0.3250000    
 C    1.540500     -0.3835000     -0.3662000    
 C    1.150700     -0.6902000       1.972500    
 C  -0.7966000     -0.5289000      0.1057000    
 C   0.5205000      -2.232300      -1.438100    
 C    2.522000      -1.547400       1.751000    
 C  -0.8064000      -1.537100     -0.9555000    
 C   0.5545000       1.536500      0.8388000    
 C    2.279400      0.4103000      -1.148500    
 C   -2.021800     -5.8200002E-02  0.5902000    
 C    2.823100      -3.703300      0.5709000    
 C    1.271200       2.387500      9.0899996E-02
 C   -2.018600      -1.960000      -1.506100    
 C    2.164400       1.876600     -0.9848000    
 C   -3.218400     -0.5116000      2.8600000E-02
 C   -3.216700      -1.442300      -1.015200    
 C  -6.2300000E-02   4.261100      0.1087000    
 C   -4.949200       1.112500     -0.1198000    
 H   0.8121000      -2.308300      0.4396000    
 H   0.3899000      -1.369200       2.381900    
 H    1.358100      4.3600000E-02   2.762200    
 H   0.3596000      -3.315000      -1.497700    
 H   0.8171000      -1.855900      -2.422800    
 H    3.361400     -0.8446000       1.828400    
 H    2.622400      -2.248300       2.589000    
 H  -2.2299999E-02   1.942500       1.664800    
 H    2.963600      2.0300001E-02  -1.891800    
 H    1.981500      -4.154700       1.108600    
 H    3.742800      -3.933100       1.119400    
 H    2.905900      -4.188100     -0.4079000    
 H   -2.038300      -2.706300      -2.295000    
 H   -4.157000      -1.784900      -1.440200    
 H   -3.041000      0.9463000       1.865100    
 H   6.8000001E-03   5.351800      4.7100000E-02
 H  -0.7017000       4.022600      0.9650000    
 H  -0.5204000       3.905100     -0.8217000    
 H   -5.172000      0.9188000      -1.173900    
 H   -4.252200       1.952300     -3.2699998E-02
 H   -5.879400       1.376600      0.3908000    


%chk=000165181-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165181

0 1
O -2.049347 0.975680 1.528014
O 1.517600 3.818654 -0.129079
O -4.330451 0.377939 0.383561
O 3.155910 2.532099 -1.862574
N 2.602789 -2.357321 0.426820
C 0.613202 0.167518 0.574206
C 1.381896 -1.877250 -0.276578
C 1.566811 -0.380370 -0.421779
C 1.222126 -0.558830 1.912585
C -0.749631 -0.416563 -0.009007
C 0.498446 -2.233107 -1.489778
C 2.585811 -1.374477 1.632011
C -0.773808 -1.393247 -1.098921
C 0.612143 1.672792 0.660524
C 2.407419 0.340823 -1.204345
C -1.986379 0.097185 0.432584
C 2.482453 -3.776916 0.837484
C 1.442883 2.425771 -0.133258
C -2.002067 -1.719590 -1.706250
C 2.400368 1.817912 -1.133831
C -3.212451 -0.256967 -0.203721
C -3.228015 -1.146355 -1.287023
C 0.615370 4.525301 0.781623
C -5.645534 0.114124 -0.201932
H 0.604658 -2.039894 0.503649
H 0.447847 -1.190040 2.384280
H 1.490652 0.230938 2.637279
H 0.212497 -3.300561 -1.544742
H 0.921904 -1.928555 -2.462949
H 3.382942 -0.632619 1.454044
H 2.843152 -1.941365 2.546751
H -0.087339 2.127805 1.365746
H 3.120978 -0.119747 -1.895225
H 1.535595 -4.006500 1.391102
H 3.337568 -4.051513 1.478728
H 2.516628 -4.415696 -0.062800
H -2.011394 -2.459095 -2.514772
H -4.161676 -1.420720 -1.786359
H -3.007271 1.209214 1.667915
H 0.815410 5.593264 0.612779
H 0.825951 4.262582 1.837448
H -0.443902 4.295258 0.552341
H -5.901513 -0.959942 -0.127655
H -5.677136 0.434927 -1.260548
H -6.356297 0.708956 0.389954


