%chk=000249372.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249372

0 1
S 4.441691 -0.675122 -0.059893
O 2.932142 1.143462 2.096619
O 2.139377 0.251423 -2.410422
N 1.809577 1.644880 0.118772
N 1.698759 -1.803282 -1.426471
N 0.618258 1.876390 0.763520
N 0.338705 -1.604351 -1.501495
N -3.810102 3.479484 1.087906
N -3.824595 -0.713592 -0.604040
C 4.200081 1.133054 0.037530
C 4.037294 -1.059939 -1.796490
C 5.399671 1.731673 0.740277
C 4.491625 -2.477371 -2.063250
C 2.938326 1.293206 0.898691
C 2.541987 -0.793726 -1.930912
C -0.497975 1.972226 0.086087
C -0.496267 -2.451505 -0.965434
C -1.703346 2.284547 0.891751
C -1.934732 -2.132008 -1.142909
C -0.671961 1.810740 -1.390918
C -0.177593 -3.695043 -0.194290
C -1.888708 1.736059 2.171346
C -2.744296 -2.921298 -1.972032
C -2.692278 3.160508 0.391135
C -2.512584 -1.030503 -0.476881
C -3.040887 2.055885 2.893188
C -4.096091 -2.598054 -2.106757
C -3.979984 2.926770 2.318365
C -4.599504 -1.487641 -1.407765
H 4.087836 1.575820 -0.980799
H 4.569788 -0.356429 -2.489757
H 5.495995 1.362835 1.776340
H 5.310968 2.826351 0.812387
H 6.340561 1.510866 0.220229
H 4.165604 -3.199056 -1.302261
H 5.591691 -2.540799 -2.097587
H 4.124017 -2.836839 -3.036663
H 1.845846 1.601736 -0.917846
H 2.095465 -2.595705 -0.907703
H -0.430667 2.735052 -1.932743
H -0.025658 1.011245 -1.809206
H -1.699324 1.528460 -1.663277
H 0.358768 -4.433570 -0.805210
H 0.431660 -3.474389 0.695923
H -1.086311 -4.194061 0.177266
H -1.129401 1.076666 2.599407
H -2.321803 -3.770663 -2.508235
H -2.591690 3.629264 -0.594676
H -1.912804 -0.378986 0.174888
H -3.206729 1.640375 3.883860
H -4.748400 -3.189876 -2.744666
H -4.899862 3.203525 2.845017
H -5.653539 -1.193993 -1.484417


%chk=000249372-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249372

0 1
S 4.562538 -0.798555 0.080127
O 2.949734 1.299800 2.271690
O 2.362488 0.386100 -2.436643
N 1.782609 1.518763 0.237081
N 1.709368 -1.690899 -1.567059
N 0.548860 1.614130 0.864746
N 0.356998 -1.391427 -1.674661
N -4.267519 1.857611 0.852102
N -3.617421 -0.631154 -2.627641
C 4.211110 1.106546 0.176452
C 4.117127 -1.161482 -1.755173
C 5.418077 1.798793 0.823395
C 4.495130 -2.625944 -2.040086
C 2.932788 1.311623 1.012918
C 2.660869 -0.760964 -1.979448
C -0.515991 1.856822 0.110432
C -0.513102 -2.241592 -1.146879
C -1.803713 1.902127 0.854466
C -1.940616 -1.878763 -1.325763
C -0.451858 2.075478 -1.390224
C -0.113794 -3.506177 -0.401815
C -1.815229 1.991763 2.278293
C -2.958372 -2.308439 -0.432276
C -3.066237 1.834085 0.200486
C -2.341006 -1.052099 -2.419118
C -3.044254 2.023007 2.960895
C -4.287977 -1.887201 -0.642469
C -4.245643 1.958153 2.212599
C -4.573234 -1.043119 -1.738907
H 4.070792 1.421367 -0.872798
H 4.723295 -0.479211 -2.371951
H 5.538997 1.460947 1.865986
H 5.255328 2.892742 0.844228
H 6.341308 1.585865 0.259394
H 4.024328 -3.335694 -1.333729
H 5.586656 -2.755716 -1.947069
H 4.199673 -2.907478 -3.066943
H 1.859532 1.468074 -0.794369
H 2.038236 -2.540862 -1.090829
H 0.283427 2.868789 -1.631138
H -0.122667 1.157932 -1.915547
H -1.419094 2.387762 -1.807546
H 0.521153 -4.158275 -1.035033
H 0.452423 -3.272095 0.521439
H -0.991526 -4.102942 -0.116608
H -0.858108 2.032292 2.806399
H -2.717903 -2.929410 0.437216
H -3.138058 1.737291 -0.888029
H -1.593221 -0.727445 -3.149991
H -3.080067 2.101261 4.052350
H -5.086915 -2.184926 0.042755
H -5.223530 1.988029 2.707256
H -5.587188 -0.670582 -1.917467


