%chk=000276808.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276808

0 1
S -1.949775 -2.452988 -0.227749
O -2.450833 0.421206 0.545583
O -1.921145 -3.459146 -1.270665
O -2.501723 -2.772175 1.062326
N -3.033306 -1.278765 -0.975718
N -2.833177 1.726143 0.877914
N 3.244757 0.321410 0.139809
N 2.657373 2.446372 1.183858
N 4.890640 1.934604 0.815671
N 7.204905 1.722641 1.020224
N 6.069744 0.037672 -0.224760
C -0.466315 -1.649004 -0.093238
C -3.299339 -0.017141 -0.494459
C -4.201094 0.988997 -0.810277
C -3.862685 2.076940 0.089877
C 0.489353 -1.752713 -1.122643
C -0.171030 -0.881776 1.045506
C -5.268197 0.963891 -1.826778
C 1.698572 -1.085594 -1.036254
C 1.037969 -0.206745 1.152823
C 1.985095 -0.284910 0.103497
C -4.529365 3.394824 0.166980
C 3.557989 1.498119 0.691528
C 5.978078 1.208458 0.530080
H -3.618127 -1.575364 -1.772058
H 0.269985 -2.369984 -2.002489
H -0.907952 -0.803945 1.857872
H -5.870734 0.045882 -1.760093
H -5.961330 1.808979 -1.707338
H -4.855869 1.023282 -2.845187
H 2.437468 -1.158621 -1.832273
H 1.261457 0.356758 2.056829
H -5.587605 3.282527 0.451621
H -4.058804 4.056507 0.911936
H -4.497858 3.911786 -0.804148
H 2.993932 3.365542 1.437548
H 1.677402 2.385236 0.944904
H 7.145340 2.643725 1.453681
H 8.018557 1.629009 0.424911
H 5.193388 -0.457509 -0.437360
H 6.874960 -0.563931 -0.128191


%chk=000276808-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276808

0 1
S -1.905487 -1.689630 -0.608662
O -2.595207 1.753985 -0.554620
O -1.914080 -3.002291 -1.577344
O -2.700842 -1.661146 0.816905
N -2.727922 -0.228975 -1.832722
N -3.476128 2.709949 0.110939
N 3.805466 0.169203 0.213088
N 3.406089 2.497898 0.707773
N 5.535018 1.661389 0.982307
N 7.755507 1.103098 1.330057
N 6.279917 -0.575836 0.525019
C -0.164956 -1.110491 -0.342710
C -3.403740 0.747174 -1.137982
C -4.752104 1.026316 -0.869657
C -4.737621 2.254927 -0.120376
C 0.823505 -1.506936 -1.263950
C 0.101148 -0.288372 0.767523
C -5.949784 0.210013 -1.261376
C 2.137291 -1.055136 -1.056040
C 1.418835 0.163166 0.957159
C 2.463471 -0.196898 0.041614
C -5.909379 3.014358 0.434085
C 4.224114 1.383069 0.632550
C 6.491144 0.711249 0.936641
H -3.348436 -0.827100 -2.410910
H 0.568116 -2.159054 -2.105088
H -0.697786 -0.023625 1.467247
H -5.658655 -0.801590 -1.596574
H -6.639162 0.086445 -0.406605
H -6.523370 0.685117 -2.080393
H 2.938443 -1.344118 -1.743310
H 1.655895 0.769528 1.837584
H -6.498368 2.382882 1.124404
H -5.560330 3.901926 0.986137
H -6.585900 3.346858 -0.374241
H 3.842439 3.379972 0.965059
H 2.438571 2.473373 0.394329
H 7.865977 2.070150 1.624222
H 8.548010 0.468265 1.350077
H 5.273056 -0.743561 0.249846
H 7.017945 -1.275350 0.481294


