%chk=000259505.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259505

0 1
S 4.916500 2.196490 0.072381
O 1.111812 -2.260071 -0.429725
N -0.857669 -0.074682 -0.450634
C 0.069525 0.304915 0.660345
C 1.490415 0.071243 0.227817
C -2.262626 0.029690 -0.207340
C 1.926719 -1.182144 -0.258131
C 2.438022 1.098721 0.339702
C 3.768560 0.865859 -0.002647
C 3.275277 -1.417092 -0.600925
C 4.195284 -0.384331 -0.471417
C -2.806832 -0.145474 1.079454
C -3.120262 0.208307 -1.315959
C -4.193414 -0.151012 1.245239
C -4.500856 0.196083 -1.127264
C -5.044782 0.019573 0.150480
H -0.159699 -0.330749 1.550864
H -0.080751 1.359767 0.986840
H -0.564200 0.348628 -1.339661
H 2.128306 2.082956 0.700002
H 3.563994 -2.402118 -0.964490
H 5.241610 -0.548156 -0.739310
H -2.161958 -0.288276 1.941958
H -2.711089 0.343722 -2.313726
H -4.612969 -0.290339 2.241727
H -5.162345 0.328114 -1.983705
H -6.122591 0.014659 0.288886
H 0.137380 -2.036119 -0.313311
H 5.427039 1.973934 1.303251


%chk=000259505-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259505

0 1
S 5.198179 2.105951 0.385417
O 0.878135 -2.025873 -0.682845
N -0.857602 0.011882 -0.426548
C 0.090921 0.409724 0.656173
C 1.523636 0.169075 0.208450
C -2.271537 0.004068 -0.191373
C 1.857928 -1.071080 -0.419202
C 2.547534 1.110903 0.452640
C 3.887235 0.825218 0.107248
C 3.198405 -1.355134 -0.770445
C 4.209354 -0.407349 -0.508727
C -2.827571 0.045535 1.114120
C -3.142242 -0.091762 -1.311929
C -4.228810 -0.021363 1.286745
C -4.537466 -0.150226 -1.127876
C -5.092933 -0.119196 0.174218
H -0.129780 -0.230916 1.532182
H -0.056264 1.463754 0.969047
H -0.605992 0.432331 -1.331080
H 2.306513 2.070362 0.924103
H 3.425891 -2.311551 -1.250096
H 5.245094 -0.617523 -0.793263
H -2.185693 0.135407 1.995525
H -2.721004 -0.130474 -2.324428
H -4.643281 0.010129 2.300689
H -5.192936 -0.223489 -2.002843
H -6.177396 -0.167341 0.315791
H -0.028175 -1.554150 -0.611800
H 5.658257 1.615185 1.600811


