%chk=000289743.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289743

0 1
O 4.306378 -1.933730 -0.003209
O 0.745933 3.372710 0.006290
N -0.240031 -0.600372 0.000320
C 1.123572 -0.244463 0.000449
C 1.486845 1.123944 0.002618
C -1.243258 0.391747 0.002285
C 0.458860 2.187868 0.004612
C -2.633850 -0.130248 0.001940
C -0.931221 1.708419 0.004363
C 2.101898 -1.256765 -0.001507
C 2.854075 1.464362 0.002843
C 3.446701 -0.866019 -0.001192
C 3.841185 0.489765 0.000982
C -3.291942 -0.358453 -1.214794
C -3.285128 -0.378716 1.218390
C -4.603423 -0.841254 -1.210781
C -4.596641 -0.861385 1.213693
C -5.254821 -1.093708 0.001267
C 5.732154 -1.667776 -0.003089
H -0.505556 -1.582993 -0.001707
H -1.699365 2.480919 0.006101
H 1.848671 -2.311585 -0.003219
H 3.119408 2.529055 0.004535
H 4.887278 0.772356 0.001213
H -2.784698 -0.151767 -2.157433
H -2.772651 -0.187661 2.161480
H -5.119479 -1.017316 -2.154029
H -5.107462 -1.053066 2.156743
H -6.277933 -1.468593 0.001022
H 6.147790 -2.684227 -0.004868
H 6.016964 -1.128278 0.904838
H 6.016547 -1.125272 -0.909357


%chk=000289743-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289743

0 1
O 4.362338 -1.928840 0.469695
O 0.772361 3.351623 -0.844157
N -0.239058 -0.572501 0.071406
C 1.123218 -0.242936 0.024682
C 1.497184 1.103031 -0.283482
C -1.248795 0.361846 -0.163528
C 0.464751 2.140668 -0.556470
C -2.647598 -0.134962 -0.057706
C -0.919150 1.676097 -0.463468
C 2.105912 -1.231445 0.268549
C 2.876308 1.421877 -0.328072
C 3.469701 -0.880406 0.213349
C 3.865861 0.457186 -0.084983
C -3.659661 0.388766 -0.906810
C -3.001169 -1.138463 0.886931
C -4.987304 -0.076693 -0.813144
C -4.330031 -1.606183 0.976414
C -5.328483 -1.078499 0.125980
C 5.798000 -1.631159 0.429876
H -0.499991 -1.550126 0.209572
H -1.709486 2.417681 -0.601979
H 1.837439 -2.266924 0.503187
H 3.137858 2.458936 -0.564352
H 4.922325 0.735445 -0.128544
H -3.395632 1.143389 -1.655245
H -2.252043 -1.519441 1.592282
H -5.753893 0.334153 -1.479013
H -4.588202 -2.370189 1.717827
H -6.359744 -1.441025 0.195703
H 6.292474 -2.586936 0.656275
H 6.073740 -0.877976 1.192557
H 6.107570 -1.278498 -0.572532


