%chk=000201163.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201163

0 1
O 0.998602 -1.886647 -1.373096
O 2.358818 -0.684914 0.629979
O -1.334453 -0.391862 2.056722
O 1.185314 1.195113 0.093513
N -1.818317 -1.008610 -0.077572
N 1.145425 -1.338294 0.874668
C -2.803590 -3.930460 -0.641098
C -1.442012 -3.297735 -0.999058
C -0.996875 -2.236332 0.012062
C -2.697916 -4.797808 0.618268
C -3.313765 -4.760540 -1.825527
C 0.463107 -1.797067 -0.294314
C -1.891528 -0.121164 1.002201
C -2.656212 1.131336 0.723962
C -4.032120 1.193575 0.971784
C -1.958994 2.248500 0.244869
C -4.718330 2.387169 0.729316
C -2.653811 3.437011 0.005252
C -4.030468 3.505708 0.245956
C 2.260910 0.650040 0.181054
C 3.616758 1.168915 -0.086196
C 3.811028 2.560364 -0.103579
C 4.688700 0.296915 -0.331929
C 5.082814 3.074545 -0.361112
C 5.957623 0.821165 -0.590278
C 6.154060 2.206138 -0.603638
H -1.472310 -2.866979 -2.021111
H -0.662669 -4.087196 -1.059674
H -3.538664 -3.110305 -0.443311
H -1.063976 -2.650505 1.060117
H -1.989885 -5.623575 0.487199
H -3.666285 -5.240177 0.877740
H -2.366290 -4.214013 1.484910
H -2.623956 -5.573311 -2.080000
H -4.282642 -5.219573 -1.598541
H -3.445388 -4.148469 -2.723940
H -2.227186 -0.787950 -0.982235
H 0.616416 -0.851889 1.623509
H -4.561489 0.322885 1.357578
H -0.878545 2.188256 0.067993
H -5.788561 2.446323 0.921169
H -2.119878 4.310740 -0.366329
H -4.568543 4.434671 0.059303
H 2.966425 3.228038 0.081368
H 4.523087 -0.784837 -0.321896
H 5.240821 4.152239 -0.374932
H 6.793187 0.148771 -0.782339
H 7.145964 2.611994 -0.805287


%chk=000201163-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201163

0 1
O 1.148500 -2.106392 -1.406527
O 2.493969 -0.649620 0.606737
O -1.037753 -0.217494 2.028523
O 1.383855 1.156301 -0.433109
N -1.728309 -0.998485 -0.043004
N 1.188893 -1.237025 0.781759
C -2.872571 -3.767343 -0.676728
C -1.411823 -3.308976 -0.927537
C -0.895942 -2.220400 0.030605
C -3.065967 -4.360091 0.739614
C -3.286659 -4.791499 -1.760171
C 0.590635 -1.858836 -0.305243
C -1.774304 -0.078175 0.984645
C -2.710286 1.081487 0.832864
C -3.850970 1.043640 -0.012267
C -2.440359 2.250647 1.588815
C -4.697291 2.168818 -0.112382
C -3.285312 3.374120 1.485373
C -4.413440 3.338000 0.631529
C 2.454358 0.605488 -0.114367
C 3.832500 1.103367 -0.356079
C 3.975384 2.394478 -0.930348
C 4.982622 0.332965 -0.039550
C 5.260975 2.913482 -1.182090
C 6.266104 0.858769 -0.295148
C 6.408042 2.147034 -0.863986
H -1.292682 -2.951604 -1.969462
H -0.735686 -4.180659 -0.834804
H -3.541365 -2.884428 -0.767898
H -0.934712 -2.565776 1.079530
H -2.380894 -5.214725 0.901926
H -4.100078 -4.728189 0.871304
H -2.877127 -3.614505 1.533312
H -2.656881 -5.699954 -1.700438
H -4.339717 -5.102821 -1.631675
H -3.175629 -4.372234 -2.777789
H -2.143016 -0.764337 -0.947264
H 0.592354 -0.815333 1.532997
H -4.108267 0.130672 -0.563049
H -1.566074 2.253166 2.247136
H -5.580465 2.131267 -0.759234
H -3.066772 4.276430 2.066458
H -5.071012 4.210718 0.552036
H 3.073815 2.966974 -1.172268
H 4.860145 -0.663869 0.391926
H 5.371385 3.908963 -1.625068
H 7.154722 0.265482 -0.054892
H 7.407506 2.550700 -1.061211


