%chk=000253834.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253834

0 1
O 4.433990 1.751572 -0.000293
O 0.719574 -3.425792 -0.000256
N -0.181974 0.580010 -0.000096
C 1.178574 0.189008 -0.000163
C -1.202087 -0.394504 -0.000081
C 1.504404 -1.191658 -0.000172
C -0.913759 -1.719798 -0.000089
C 0.456857 -2.234153 -0.000161
C -2.615993 0.070300 -0.000036
C 2.208116 1.153221 -0.000212
C -0.515531 2.025440 -0.000165
C 2.857443 -1.585030 -0.000196
C 3.536844 0.712702 -0.000243
C 3.884737 -0.654022 -0.000224
C -3.284527 0.267874 1.216657
C -3.284544 0.268047 -1.216697
C -4.622389 0.671671 1.212145
C -4.622403 0.671843 -1.212109
C -5.290564 0.875153 0.000038
C 5.848972 1.435093 -0.000383
H -1.702092 -2.472498 -0.000044
H 2.015276 2.220669 -0.000229
H -1.604757 2.201107 0.000157
H -0.101207 2.517630 -0.899097
H -0.100677 2.517831 0.898416
H 3.078387 -2.660395 -0.000194
H 4.918558 -0.977104 -0.000222
H -2.763694 0.097959 2.159129
H -2.763722 0.098261 -2.159196
H -5.146333 0.822722 2.155343
H -5.146364 0.823030 -2.155276
H -6.334310 1.187379 0.000065
H 6.114111 0.883932 -0.907290
H 6.114244 0.884069 0.906569
H 6.301539 2.435533 -0.000493


%chk=000253834-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253834

0 1
O 4.498590 1.793657 -0.000396
O 0.722402 -3.496981 -0.000037
N -0.182935 0.601024 -0.000086
C 1.174297 0.199475 -0.000144
C -1.200634 -0.367974 -0.000043
C 1.504172 -1.197245 -0.000108
C -0.912389 -1.723095 -0.000013
C 0.449997 -2.243856 -0.000001
C -2.631912 0.088940 -0.000034
C 2.216006 1.163411 -0.000242
C -0.492401 2.045598 -0.000077
C 2.868031 -1.577010 -0.000168
C 3.563470 0.749041 -0.000299
C 3.904633 -0.632891 -0.000260
C -3.325516 0.276044 1.223654
C -3.325439 0.276374 -1.223717
C -4.687003 0.654420 1.223175
C -4.686926 0.654748 -1.223221
C -5.370344 0.847557 -0.000018
C 5.920825 1.436361 -0.000483
H -1.737110 -2.439764 0.000005
H 2.022187 2.237422 -0.000287
H -1.580342 2.188769 0.000032
H -0.072183 2.533286 -0.898482
H -0.072002 2.533302 0.898232
H 3.075266 -2.652741 -0.000133
H 4.947198 -0.962228 -0.000299
H -2.798821 0.113978 2.170919
H -2.798687 0.114562 -2.170993
H -5.213625 0.790473 2.174148
H -5.213489 0.791053 -2.174190
H -6.426893 1.137495 -0.000013
H 6.189943 0.858428 -0.905371
H 6.190079 0.858524 0.904426
H 6.456251 2.396946 -0.000573


