%chk=000185272.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185272

0 1
S -3.314834 -0.166984 0.957688
O -2.097525 0.251520 -1.355788
N -0.767283 0.518643 0.504215
C 0.441179 0.886143 -0.301034
C 0.933844 2.324824 0.034341
C 1.490236 -0.197010 -0.111163
C 2.106114 2.688411 -0.884179
C -0.202327 3.338624 -0.132447
C -0.665984 0.443354 1.977398
C 1.432628 -1.327531 -0.942941
C 2.489568 -0.114713 0.867860
C -1.943529 0.236261 -0.151521
C 2.367051 -2.355476 -0.799680
C 3.424336 -1.145270 1.008192
C 3.365987 -2.266388 0.175758
C -4.658095 -0.500182 -0.239169
C -5.160023 -1.907524 -0.018001
H 0.119904 0.889487 -1.387620
H 1.284003 2.355586 1.095063
H 1.803735 2.716703 -1.937735
H 2.506894 3.677810 -0.637509
H 2.931166 1.970958 -0.802733
H -0.645990 3.293054 -1.134880
H 0.154366 4.362910 0.019694
H -1.012772 3.163398 0.584393
H -1.342037 1.171632 2.461178
H 0.360904 0.666053 2.311246
H -0.912714 -0.571882 2.341689
H 0.650923 -1.406771 -1.700017
H 2.549382 0.755044 1.520562
H 2.316024 -3.228603 -1.448531
H 4.199452 -1.072693 1.769119
H 4.093911 -3.067563 0.285919
H -5.447801 0.256762 -0.075533
H -4.274498 -0.355869 -1.275452
H -4.375770 -2.657861 -0.194712
H -5.534511 -2.066005 1.002065
H -5.986015 -2.141352 -0.704836


%chk=000185272-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185272

0 1
S -3.432206 0.015588 1.223873
O -2.175138 0.259238 -1.223604
N -0.783167 0.524849 0.642398
C 0.400678 0.856085 -0.227674
C 0.884447 2.320234 -0.000810
C 1.467525 -0.237475 -0.067589
C 1.981565 2.685954 -1.030847
C -0.296867 3.313445 -0.111313
C -0.601560 0.532351 2.102441
C 1.283315 -1.462483 -0.760785
C 2.599371 -0.102977 0.776214
C -1.994423 0.287712 0.026821
C 2.202183 -2.523864 -0.616704
C 3.522058 -1.164139 0.924778
C 3.327016 -2.378747 0.229727
C -4.750152 -0.400185 -0.073940
C -4.761037 -1.887589 -0.448150
H 0.003785 0.799650 -1.258428
H 1.315735 2.411878 1.018196
H 1.574414 2.641467 -2.059091
H 2.344369 3.715751 -0.858304
H 2.847507 2.003914 -0.980393
H -0.775917 3.238930 -1.105569
H 0.060853 4.351285 0.018220
H -1.076032 3.123657 0.647940
H -0.784066 1.533318 2.539504
H 0.430304 0.220895 2.334484
H -1.286122 -0.189016 2.578972
H 0.408327 -1.577888 -1.412385
H 2.776919 0.835520 1.314475
H 2.044342 -3.460464 -1.163206
H 4.391928 -1.041298 1.580060
H 4.042691 -3.200768 0.342865
H -5.697730 -0.068764 0.383086
H -4.515235 0.230639 -0.946838
H -3.799797 -2.174602 -0.907068
H -4.935784 -2.528391 0.433804
H -5.564200 -2.086210 -1.184263


