%chk=000213577.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213577

0 1
O -1.968548 -1.314758 -1.260587
O -0.142015 -2.913899 -0.251587
O 2.642770 -3.075547 0.478587
N -2.094297 0.784960 -0.381607
C -4.127707 1.312124 1.674564
C -4.438016 0.436171 0.454584
C -2.633593 1.260271 2.017200
C -3.546624 0.811865 -0.738676
C -1.765967 1.630032 0.800533
C -1.385439 -0.383059 -0.686562
C 0.074054 -0.493313 -0.410872
C 0.937949 0.617681 -0.447965
C 0.602852 -1.774538 -0.180031
C 2.294271 0.474156 -0.165295
C 1.985834 -1.915134 0.149124
C 2.815108 -0.793568 0.157584
C 3.205308 1.671957 -0.197979
C 3.152376 2.432888 1.096790
C 1.902879 -4.323173 0.418636
C 3.155904 3.762010 1.169000
H -4.435076 2.357325 1.478051
H -4.725682 0.976131 2.542848
H -4.288275 -0.633170 0.706700
H -5.501972 0.534091 0.169638
H -2.407658 1.947590 2.853870
H -2.365651 0.246176 2.374444
H -3.726044 0.112448 -1.589746
H -3.777627 1.838394 -1.097516
H -1.938681 2.691214 0.509681
H -0.691208 1.538174 1.067066
H 0.538662 1.596821 -0.714876
H 3.869780 -0.920783 0.403060
H 4.257723 1.360860 -0.387003
H 2.947871 2.323787 -1.060546
H -1.039179 -2.742713 -0.737849
H 3.122809 1.805991 1.990862
H 1.066741 -4.298994 1.125574
H 2.668421 -5.048448 0.715216
H 1.545395 -4.500247 -0.600946
H 3.136111 4.302188 2.104341
H 3.183241 4.414737 0.309291


%chk=000213577-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213577

0 1
O -1.945473 -1.380731 -1.262130
O -0.074553 -2.984185 -0.824713
O 2.744604 -3.316716 -0.240983
N -2.053514 0.640606 -0.133400
C -4.167011 1.583751 1.683899
C -4.487224 0.653771 0.491666
C -2.720484 1.343731 2.169775
C -3.442861 0.834356 -0.631153
C -1.690381 1.500639 1.022023
C -1.329202 -0.441352 -0.596526
C 0.140032 -0.571333 -0.370876
C 1.009964 0.541449 -0.204568
C 0.695955 -1.897214 -0.454876
C 2.396336 0.367131 -0.022148
C 2.089878 -2.078984 -0.190617
C 2.910604 -0.952753 0.019467
C 3.329719 1.573715 0.105807
C 2.828726 2.627925 1.076093
C 2.079424 -4.498114 0.349235
C 2.592731 3.927517 0.763700
H -4.281128 2.641744 1.367948
H -4.882094 1.417201 2.510966
H -4.482905 -0.402568 0.822233
H -5.493560 0.868304 0.084749
H -2.453703 2.053307 2.976489
H -2.635339 0.321682 2.588393
H -3.607307 0.114694 -1.447117
H -3.509082 1.865242 -1.037342
H -1.659258 2.559052 0.689949
H -0.690486 1.226343 1.385343
H 0.611261 1.559043 -0.261337
H 3.978512 -1.135901 0.182644
H 4.324229 1.216191 0.440100
H 3.482474 2.042011 -0.887128
H -0.979676 -2.582750 -1.155009
H 2.653748 2.279206 2.105786
H 1.890462 -4.331378 1.427622
H 2.803199 -5.317020 0.218762
H 1.132499 -4.716698 -0.167207
H 2.245064 4.646557 1.514174
H 2.752621 4.311230 -0.252090


