%chk=000221467.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221467

0 1
S -0.016330 -1.041187 -0.608776
O -0.799223 -0.159882 -1.462610
O 0.170127 -2.422338 -1.019701
N -0.703853 -1.110917 0.967953
C -0.976722 0.173733 1.659735
C -1.650786 -2.224896 1.234556
C -2.047292 1.062485 1.005761
C -3.099607 -2.037602 0.755945
C -2.194511 2.392973 1.751056
C -3.270082 -2.182677 -0.760893
C 1.516337 -0.296669 -0.320485
C -3.261784 3.277851 1.110596
C -4.740915 -2.300908 -1.154263
C 2.549257 -1.023713 0.279539
C 1.732605 1.029264 -0.712221
C 3.790559 -0.426188 0.502425
C 2.970103 1.633173 -0.493037
C 4.008831 0.908140 0.118246
C 5.339608 1.545387 0.339442
H -1.270971 -0.053070 2.710533
H -0.010777 0.726957 1.729509
H -1.217661 -3.150648 0.777733
H -1.654209 -2.398254 2.335979
H -3.020490 0.522569 0.982903
H -1.807914 1.244837 -0.065672
H -3.483512 -1.043510 1.076636
H -3.735508 -2.783321 1.272917
H -1.225390 2.929712 1.761951
H -2.452388 2.208092 2.812397
H -2.710680 -3.067220 -1.127552
H -2.817980 -1.308801 -1.281117
H -4.247077 2.797845 1.126074
H -3.352750 4.235077 1.635047
H -3.026390 3.496795 0.061849
H -5.317992 -1.429332 -0.826838
H -4.847320 -2.371773 -2.243423
H -5.207763 -3.191734 -0.720778
H 2.389574 -2.067222 0.571321
H 0.927424 1.593144 -1.199861
H 4.590817 -0.997577 0.968312
H 3.133049 2.663622 -0.802146
H 5.864057 1.134748 1.213400
H 5.994779 1.385028 -0.531925
H 5.267750 2.631505 0.489683


%chk=000221467-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221467

0 1
S 0.013153 -1.003788 -0.772566
O -0.718042 0.035888 -1.808490
O 0.237825 -2.560823 -1.204107
N -0.754296 -1.083399 0.910867
C -1.068716 0.233234 1.512703
C -1.567602 -2.296291 1.169249
C -2.239345 1.080018 0.943602
C -3.075884 -2.288620 0.816416
C -2.332228 2.444007 1.666950
C -3.383473 -2.110789 -0.687327
C 1.682481 -0.229171 -0.352502
C -3.495104 3.313492 1.141936
C -4.892905 -2.212948 -0.993338
C 2.620105 -0.999873 0.354519
C 1.944561 1.067571 -0.817737
C 3.879399 -0.421614 0.620672
C 3.213525 1.625124 -0.537927
C 4.194199 0.893837 0.181049
C 5.565203 1.486997 0.450161
H -1.249932 0.019405 2.586707
H -0.142902 0.843785 1.473260
H -1.069488 -3.119504 0.621691
H -1.440444 -2.500761 2.252686
H -3.198699 0.541724 1.056316
H -2.080818 1.238315 -0.139490
H -3.609240 -1.518329 1.408148
H -3.480544 -3.266895 1.153060
H -1.375515 2.991934 1.540425
H -2.455869 2.280582 2.758026
H -2.829639 -2.878675 -1.263068
H -2.999974 -1.134299 -1.041066
H -4.467026 2.805514 1.286886
H -3.540804 4.286446 1.664908
H -3.381052 3.513792 0.060364
H -5.464267 -1.434932 -0.451163
H -5.090224 -2.084263 -2.073065
H -5.297045 -3.197854 -0.690100
H 2.375085 -2.015616 0.679691
H 1.184531 1.607515 -1.392082
H 4.629502 -0.999333 1.173320
H 3.443472 2.638043 -0.887624
H 5.924124 1.235311 1.463968
H 6.311036 1.092945 -0.266820
H 5.559878 2.585795 0.351090


