%chk=000244302.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244302

0 1
O 3.437360 -0.986290 -2.097965
O -3.437349 0.985582 -2.098289
O 9.854297 -0.610709 0.182484
O -9.854313 0.610693 0.182205
O 9.629184 0.395843 2.164688
O -9.629204 -0.395124 2.164783
N 3.526474 0.085266 -0.050365
N -3.526482 -0.085315 -0.050345
C 1.377778 -0.189149 -1.157435
C -1.377781 0.188708 -1.157504
C 0.526408 -1.301382 -1.168613
C -0.858155 -1.111451 -1.164628
C 0.858153 1.111007 -1.165006
C -0.526410 1.300937 -1.169061
C 4.929309 0.027333 0.202528
C -4.929314 -0.027252 0.202540
C 2.862849 -0.419355 -1.196092
C -2.862851 0.418903 -1.196247
C 5.385931 0.572927 1.425890
C -5.385942 -0.572423 1.426089
C 5.838917 -0.538947 -0.709143
C -5.838912 0.538752 -0.709312
C 7.656548 -0.019351 0.812623
C -7.656546 0.019723 0.812645
C 6.743481 0.546059 1.722091
C -6.743488 -0.545414 1.722292
C 7.196032 -0.559253 -0.400069
C -7.196024 0.559203 -0.400233
C 9.083382 -0.025708 1.168588
C -9.083374 0.026263 1.168629
H 0.943106 -2.311257 -1.194595
H -1.525889 -1.974656 -1.187352
H 1.525887 1.974205 -1.188020
H -0.943108 2.310803 -1.195391
H 2.958816 0.524189 0.681359
H -2.958831 -0.524003 0.681524
H 4.689663 1.011939 2.136591
H -4.689682 -1.011217 2.136931
H 5.487143 -0.962937 -1.657346
H -5.487133 0.962414 -1.657659
H 7.113737 0.963944 2.664384
H -7.113749 -0.962966 2.664732
H 7.914383 -0.997171 -1.101994
H -7.914366 0.996913 -1.102296
H 10.820680 -0.616765 0.419309
H -10.820715 0.616690 0.418954


%chk=000244302-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244302

0 1
O 3.176734 -1.909824 -0.813423
O -3.176760 1.909549 -0.814082
O 10.080583 -1.014637 -0.019658
O -10.080599 1.014545 -0.020144
O 10.135397 1.112361 0.912385
O -10.135399 -1.112083 0.912741
N 3.744103 0.206566 0.034347
N -3.744100 -0.206523 0.034498
C 1.388643 -0.319632 -0.423199
C -1.388648 0.319523 -0.423269
C 0.412434 -1.347785 -0.445665
C -0.959206 -1.034991 -0.441991
C 0.959199 1.034876 -0.442390
C -0.412441 1.347668 -0.446132
C 5.158427 0.123035 0.109153
C -5.158426 -0.122983 0.109252
C 2.835139 -0.750049 -0.429823
C -2.835145 0.749937 -0.430007
C 5.844157 1.248011 0.652235
C -5.844150 -1.247759 0.652759
C 5.898626 -1.010972 -0.328352
C -5.898632 1.010844 -0.328704
C 7.986630 0.117045 0.317901
C -7.986632 -0.116952 0.317948
C 7.241970 1.244245 0.755539
C -7.241965 -1.243972 0.756035
C 7.301139 -1.001814 -0.221181
C -7.301148 1.001708 -0.221555
C 9.462802 0.158816 0.446254
C -9.462806 -0.158693 0.446292
H 0.758821 -2.385377 -0.481916
H -1.681090 -1.858742 -0.499847
H 1.681083 1.858605 -0.500561
H -0.758829 2.385247 -0.482745
H 3.342686 1.070037 0.406712
H -3.342677 -1.069854 0.407184
H 5.275973 2.123606 0.991479
H -5.275959 -2.123213 0.992354
H 5.367702 -1.872329 -0.735236
H -5.367712 1.872052 -0.735906
H 7.780098 2.102318 1.170614
H -7.780088 -2.101890 1.171435
H 7.879380 -1.867637 -0.555255
H -7.879394 1.867395 -0.555973
H 11.064124 -0.921730 0.093650
H -11.064143 0.921653 0.093146


