%chk=000221329.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221329

0 1
S 0.790051 2.466091 -0.578705
O 0.764418 3.296156 -1.772163
O 1.194040 3.059708 0.671190
O -4.158407 -1.481496 1.928811
N 2.077374 0.262203 -0.088054
N 1.940334 1.239208 -1.037702
N -4.410617 -0.341300 -0.063955
C 4.402104 -3.157198 -0.501057
C 3.171245 -3.053653 0.409417
C 4.350459 -2.104196 -1.616312
C 3.028517 -1.645082 1.003389
C 4.221826 -0.685511 -1.040847
C 3.053181 -0.600046 -0.089479
C -0.700161 1.639132 -0.409532
C -0.948379 0.840669 0.714508
C -1.679790 1.764375 -1.404138
C -3.145211 0.306239 -0.141322
C -2.163274 0.173737 0.856926
C -2.900371 1.109882 -1.281863
C -4.854365 -1.204645 0.977751
C -6.248370 -1.722084 0.769013
H 5.324692 -3.028286 0.096781
H 4.461639 -4.170022 -0.941496
H 3.237447 -3.796899 1.225799
H 2.257550 -3.306584 -0.164113
H 3.492337 -2.309937 -2.286358
H 5.257353 -2.171333 -2.245699
H 3.856570 -1.436795 1.711935
H 2.095357 -1.578103 1.600709
H 4.136967 0.043920 -1.869130
H 5.147975 -0.412378 -0.492347
H 2.696181 1.433437 -1.709758
H -0.181803 0.734809 1.493001
H -1.484224 2.388416 -2.286527
H -2.347743 -0.448603 1.740162
H -3.650937 1.220049 -2.059580
H -5.051453 -0.157067 -0.840739
H -6.998229 -0.919542 0.739250
H -6.528993 -2.385260 1.606796
H -6.348388 -2.316112 -0.149565


%chk=000221329-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221329

0 1
S 0.774879 2.450119 -0.346688
O 0.755489 3.497198 -1.595254
O 1.198569 2.910774 1.154731
O -4.763985 -1.122846 2.130533
N 2.229002 0.136663 -0.026692
N 1.926603 1.037312 -1.038180
N -4.606032 -0.348005 -0.082071
C 4.703328 -3.177426 -0.634062
C 3.624945 -3.101454 0.472218
C 4.399579 -2.187019 -1.781781
C 3.485001 -1.652887 1.018502
C 4.269053 -0.725295 -1.257597
C 3.274684 -0.660094 -0.107150
C -0.863469 1.559565 -0.247909
C -1.252530 1.000044 0.978726
C -1.659681 1.511141 -1.404253
C -3.334159 0.282153 -0.088922
C -2.501934 0.352554 1.063460
C -2.906058 0.867184 -1.315524
C -5.259148 -1.000909 0.974912
C -6.633041 -1.552287 0.596630
H 5.696149 -2.941845 -0.197264
H 4.767197 -4.207360 -1.034502
H 3.874163 -3.787279 1.303922
H 2.649829 -3.429303 0.060290
H 3.451735 -2.476885 -2.276753
H 5.194952 -2.228955 -2.549844
H 4.419105 -1.388645 1.558498
H 2.650860 -1.570057 1.735440
H 3.982594 -0.059746 -2.092958
H 5.261967 -0.392616 -0.889885
H 2.713351 1.567170 -1.478913
H -0.599098 1.081844 1.852553
H -1.320205 1.979845 -2.332924
H -2.841155 -0.096412 1.997895
H -3.551866 0.818924 -2.201161
H -5.113816 -0.318693 -0.969935
H -7.316368 -0.743460 0.277709
H -7.063639 -2.050777 1.476409
H -6.559949 -2.286337 -0.227211


