%chk=000210379.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210379

0 1
S 5.023076 -0.418085 0.129192
S 5.121593 1.357234 -0.906971
O -2.500635 -1.095295 1.052429
O 3.944505 2.180472 -0.039196
O 6.347449 2.020336 -0.616659
O 4.604565 1.173707 -2.218953
N 1.024337 -1.123076 -0.127969
C -1.347828 -1.624977 0.315576
C -0.135255 -0.769542 0.742009
C -1.266097 -3.074829 0.799824
C 2.291492 -0.483273 0.348583
C -2.257700 -3.976742 0.074280
C -3.179193 -0.004849 0.565440
C 3.438414 -1.114390 -0.437667
C -2.889333 0.656412 -0.632324
C -4.234857 0.402996 1.408330
C -3.680960 1.758630 -1.000748
C -5.001251 1.496004 1.020517
C -4.732278 2.177272 -0.174778
C -3.388372 2.472418 -2.281083
H -1.545389 -1.557701 -0.774599
H 0.117133 -0.986488 1.804069
H -0.409508 0.308313 0.711121
H -0.227959 -3.442619 0.654515
H -1.458232 -3.105727 1.893076
H 0.832342 -0.821649 -1.091749
H 2.409932 -0.688523 1.437874
H 2.289935 0.628037 0.238688
H -2.236580 -4.994402 0.480840
H -2.041215 -4.046838 -0.997346
H -3.284642 -3.601731 0.182862
H 3.486026 -2.211967 -0.260304
H 3.319744 -0.987311 -1.534367
H -2.082630 0.329338 -1.277116
H -4.426864 -0.139436 2.329014
H -5.823603 1.829370 1.654630
H -5.344137 3.028601 -0.456721
H -3.537410 1.809504 -3.145920
H -4.029312 3.350311 -2.435076
H -2.347414 2.823423 -2.316516
H 4.155308 3.082969 0.254392


%chk=000210379-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210379

0 1
S 5.068430 -0.718581 0.483543
S 5.488195 1.172842 -1.076285
O -2.653157 -1.190296 1.010487
O 5.145316 2.541374 0.141698
O 7.005994 1.362744 -1.602719
O 4.279358 1.160131 -2.164016
N 0.961139 -0.851937 0.002934
C -1.396245 -1.582979 0.331762
C -0.256445 -0.640392 0.802396
C -1.150623 -3.050825 0.705945
C 2.251755 -0.444754 0.581007
C -2.170915 -4.019018 0.074577
C -3.390432 -0.087060 0.542773
C 3.383584 -1.095499 -0.233606
C -3.058342 0.688948 -0.594402
C -4.552004 0.213163 1.299144
C -3.887110 1.772122 -0.991227
C -5.369751 1.287749 0.906387
C -5.044148 2.067085 -0.231464
C -3.525286 2.591525 -2.219413
H -1.531195 -1.497482 -0.768827
H -0.023840 -0.870915 1.858531
H -0.616981 0.413245 0.773688
H -0.121289 -3.303180 0.387221
H -1.184540 -3.132324 1.809940
H 0.859420 -0.588010 -0.985575
H 2.287952 -0.802454 1.627114
H 2.410023 0.657846 0.607147
H -1.976523 -5.059296 0.391932
H -2.121189 -3.989837 -1.030515
H -3.198719 -3.753765 0.377691
H 3.284651 -2.196232 -0.276150
H 3.386163 -0.710137 -1.274967
H -2.164710 0.469285 -1.188787
H -4.786602 -0.402890 2.172334
H -6.267787 1.521889 1.488812
H -5.688656 2.902443 -0.526800
H -3.568729 1.977315 -3.138947
H -4.215770 3.441589 -2.352455
H -2.499297 2.998290 -2.146819
H 5.605503 3.364178 -0.202887


