%chk=000183396.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183396

0 1
S -3.799723 0.477371 -0.421014
O -0.724853 -0.114989 -0.450514
O 2.175353 2.377942 0.704475
N 4.846096 -1.310011 -0.173684
N 1.779896 0.779918 -0.874693
C 3.450004 -0.817301 0.062127
C 3.196683 0.350425 -0.918133
C -0.092563 2.096202 0.038901
C -1.140048 1.181356 -0.167217
C -2.480473 1.578209 -0.103226
C 1.368974 1.762356 0.020188
C -1.613565 -1.189125 -0.378112
C -3.003989 -1.073788 -0.349910
C -0.433187 3.429839 0.324895
C -2.796309 2.907614 0.183115
C -1.768127 3.832932 0.393624
C 4.985383 -2.728402 0.273704
C 5.841296 -0.447997 0.531849
C -0.968397 -2.434187 -0.363405
C -3.782763 -2.233503 -0.299916
C -1.760951 -3.582817 -0.326103
C -3.158521 -3.484725 -0.292370
H 3.264573 -0.482165 1.105461
H 2.728813 -1.637020 -0.137657
H 3.450001 0.047238 -1.958200
H 3.851948 1.217007 -0.660101
H 1.107397 0.196908 -1.370027
H 0.375447 4.148261 0.506363
H -3.839124 3.228602 0.243078
H -2.010476 4.871290 0.617798
H 4.311261 -3.361389 -0.324570
H 4.776539 -2.902223 1.339174
H 6.012937 -3.068610 0.065271
H 5.724772 0.595204 0.194406
H 6.855378 -0.770007 0.246834
H 5.768132 -0.458193 1.629302
H 0.117916 -2.487077 -0.381241
H -4.872062 -2.165827 -0.269085
H -1.285283 -4.564301 -0.319691
H -3.763685 -4.389715 -0.258493


%chk=000183396-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183396

0 1
S -3.917195 0.620964 -0.837403
O -0.891832 -0.065645 -0.955148
O 2.258840 2.479691 0.428709
N 4.960702 -1.338329 -0.052553
N 1.737657 0.557724 -0.770691
C 3.581689 -0.846278 0.169593
C 3.139843 0.151464 -0.931489
C -0.091529 2.029592 0.027881
C -1.180001 1.204761 -0.366005
C -2.517721 1.638057 -0.212778
C 1.389193 1.699732 -0.081806
C -1.752816 -1.175689 -0.707254
C -3.153854 -1.029464 -0.616330
C -0.395522 3.302668 0.578137
C -2.793260 2.897753 0.356296
C -1.723628 3.735336 0.745683
C 5.233836 -2.593950 0.677458
C 5.992084 -0.313925 0.224306
C -1.145287 -2.441638 -0.607516
C -3.957353 -2.172418 -0.414503
C -1.955576 -3.585881 -0.433933
C -3.359792 -3.451125 -0.335095
H 3.457041 -0.356128 1.167558
H 2.901418 -1.720227 0.146371
H 3.276844 -0.323745 -1.919198
H 3.753938 1.066191 -0.889485
H 0.980212 -0.025441 -1.140722
H 0.456558 3.921957 0.875155
H -3.832372 3.218192 0.485724
H -1.932706 4.718429 1.178487
H 4.499545 -3.365454 0.383833
H 5.192853 -2.481229 1.791077
H 6.240801 -2.963390 0.411822
H 5.827406 0.579539 -0.400444
H 6.988624 -0.720064 -0.025196
H 6.004684 0.012662 1.294964
H -0.055454 -2.518844 -0.672862
H -5.043424 -2.061585 -0.328430
H -1.489717 -4.574276 -0.368265
H -3.990031 -4.334686 -0.192745


