%chk=000036984.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036984

0 1
 O    1.695400      0.9502000     -0.7575000    
 O    2.006200     -0.8091000      0.7314000    
 O    5.467200     -0.8012000      0.4948000    
 N    3.627000     -0.2863000     -0.8418000    
 C   -3.116600      0.1100000     -0.6171000    
 C   -3.041800      -1.429600     -0.5331000    
 C   -1.875600      0.8024000     -8.0700003E-02
 C   -2.883000      -1.943100      0.9018000    
 C   -3.391000      0.5415000      -2.063000    
 C  -0.6562000      0.5493000     -0.6779000    
 C   -2.000800       1.666000      0.9900000    
 C   -2.827100      -3.462700      0.9438000    
 C   0.4832000       1.185100     -0.1851000    
 C  -0.8615000       2.301800       1.482900    
 C   0.3806000       2.061400      0.8954000    
 C    2.415800     -0.1235000     -0.2007000    
 C    4.578100      -1.312100     -0.4830000    
 H   -3.984100      0.4276000     -2.2200000E-02
 H   -2.216400      -1.810300      -1.147800    
 H   -3.961800      -1.852500     -0.9575000    
 H   -3.722300      -1.595500       1.515200    
 H   -1.965000      -1.551600       1.353300    
 H   -4.343900      0.1285000      -2.412100    
 H   -3.453000       1.632700      -2.142000    
 H   -2.611400      0.1998000      -2.752600    
 H  -0.5634000     -0.1305000      -1.519600    
 H   -2.962000       1.860700       1.456000    
 H   -2.717300      -3.809400       1.976200    
 H   -3.742900      -3.900500      0.5341000    
 H   -1.976900      -3.839900      0.3665000    
 H  -0.9412000       2.984000       2.324300    
 H    1.264100       2.560200       1.284100    
 H    3.867700      0.3566000      -1.589900    
 H    5.142700      -1.593600      -1.375700    
 H    4.064500      -2.187300     -7.6099999E-02
 H    5.781400      5.7900000E-02  0.1657000    


%chk=000036984-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036984

0 1
O 1.894791 0.945861 0.164146
O 1.835818 -0.910601 -1.338608
O 5.093260 -2.028682 -0.318552
N 3.831755 0.065966 -0.570270
C -3.014677 -0.019925 -0.713606
C -2.960190 -1.540146 -0.387145
C -1.888790 0.769890 -0.038908
C -3.140969 -1.871437 1.111187
C -3.006497 0.212055 -2.249209
C -0.532623 0.430170 -0.292095
C -2.180580 1.854054 0.823959
C -3.098798 -3.389459 1.391009
C 0.492405 1.179961 0.321662
C -1.139076 2.596338 1.428578
C 0.207420 2.264323 1.181967
C 2.453954 -0.066266 -0.654330
C 4.733344 -0.900475 -1.182072
H -3.976033 0.369449 -0.317977
H -1.996932 -1.960081 -0.742680
H -3.754133 -2.049705 -0.971654
H -4.107609 -1.455035 1.462996
H -2.350735 -1.364168 1.698446
H -3.854929 -0.313387 -2.726164
H -3.082760 1.287344 -2.492273
H -2.072922 -0.170532 -2.701837
H -0.277057 -0.401086 -0.951336
H -3.225942 2.117661 1.023561
H -3.231408 -3.606368 2.467006
H -3.897196 -3.919863 0.837719
H -2.129867 -3.820924 1.076271
H -1.375434 3.433407 2.094583
H 1.032210 2.819720 1.637915
H 4.188185 0.818584 0.020726
H 5.637023 -0.360651 -1.527431
H 4.214253 -1.367638 -2.030797
H 5.639439 -1.711354 0.445313


