%chk=000186973.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186973

0 1
O 0.820947 0.715011 0.193645
O -1.129968 -2.498648 -0.721569
O 2.102773 -0.188189 -1.478362
N -2.524545 1.566233 -0.126153
N 2.883517 -0.012997 0.729364
C -1.526598 0.497652 -0.531092
C -0.164552 1.200877 -0.779791
C -0.350501 2.687766 -0.450252
C -1.866507 2.899632 -0.294614
C -1.554480 -0.520452 0.594330
C -2.944985 1.250706 1.290934
C -2.336026 -0.095189 1.599665
C -0.833035 -1.827012 0.518624
C 1.961763 0.111270 -0.309200
C -0.121297 -2.375650 -1.742005
C 3.985545 -1.000785 0.587478
C 3.604370 -2.380386 1.115133
H -1.902437 0.034723 -1.478809
H 0.222859 1.016710 -1.803888
H 0.078295 3.337105 -1.230196
H 0.189202 2.931066 0.486659
H -2.104170 3.594014 0.532327
H -2.299306 3.342734 -1.219524
H -4.056201 1.200941 1.289168
H -2.644079 2.018056 2.029350
H -2.566313 -0.599010 2.521045
H -1.217236 -2.547686 1.270568
H 0.254073 -1.696662 0.662277
H 2.556241 0.169765 1.679283
H 0.126107 -1.329884 -1.951074
H -0.604309 -2.842346 -2.608870
H 0.775246 -2.930698 -1.451882
H 4.278421 -1.061509 -0.489390
H 4.862279 -0.592488 1.141201
H 3.318722 -2.360035 2.172962
H 2.765843 -2.814231 0.554636
H 4.445044 -3.080303 1.021323


%chk=000186973-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186973

0 1
O 0.949417 0.859900 0.354215
O -1.250683 -2.612273 -0.537320
O 2.137959 -0.023009 -1.496002
N -2.533807 1.612737 -0.260982
N 2.871282 -0.285739 0.724627
C -1.448740 0.600243 -0.527633
C -0.084566 1.418676 -0.552269
C -0.456991 2.833431 -0.065090
C -1.945938 2.959234 -0.488943
C -1.622494 -0.431338 0.585107
C -3.118271 1.351898 1.093645
C -2.554169 0.000389 1.475767
C -0.921816 -1.766539 0.633291
C 2.014391 0.159548 -0.255493
C -0.209019 -2.634499 -1.567875
C 4.064309 -1.092688 0.424187
C 3.934232 -2.553698 0.903921
H -1.586399 0.132065 -1.521761
H 0.337634 1.423071 -1.572952
H 0.195162 3.614163 -0.492202
H -0.367603 2.864089 1.036817
H -2.497213 3.727436 0.079256
H -2.020272 3.220276 -1.563103
H -4.226433 1.333937 1.049304
H -2.837607 2.136685 1.836557
H -2.899242 -0.559286 2.350655
H -1.272383 -2.333454 1.514724
H 0.178510 -1.647425 0.709498
H 2.636240 -0.056197 1.691441
H -0.009309 -1.634088 -1.999676
H -0.584970 -3.307427 -2.355277
H 0.747919 -3.035016 -1.168635
H 4.199333 -1.059021 -0.670046
H 4.950641 -0.616462 0.886294
H 3.784703 -2.609558 1.998200
H 3.079120 -3.050832 0.412488
H 4.851776 -3.119126 0.658566


