%chk=000145994.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000145994

0 1
S 3.284395 -0.951791 2.387340
O 1.745134 -2.089475 0.176865
O -2.490834 -3.145351 -0.833348
O -1.260256 -1.702449 -2.021635
N -0.056314 -0.754483 0.458376
C 2.229049 0.287490 0.187698
C 2.409426 0.694176 -1.289363
C 1.382239 1.718809 -1.781574
C -0.067162 1.212267 -1.760887
C 1.325162 -0.942312 0.256254
C -0.723783 1.473234 -0.436662
C -0.698026 0.532891 0.614256
C 3.574599 -0.070286 0.822061
C -0.933479 -1.939618 0.436901
C -1.372861 2.699599 -0.213979
C -1.298437 0.818995 1.853987
C -1.978944 2.981259 1.010485
C -1.940076 2.041368 2.046883
C -1.511562 -2.181252 -0.944372
H 1.773641 1.138188 0.758286
H 2.384321 -0.208705 -1.935597
H 3.424231 1.120543 -1.430222
H 1.644461 2.004912 -2.821307
H 1.464432 2.651906 -1.188819
H -0.108931 0.126551 -2.019212
H -0.644042 1.700895 -2.573312
H 4.161086 0.839100 1.052816
H 4.192217 -0.693696 0.146716
H -1.760198 -1.842643 1.180517
H -0.339929 -2.851655 0.733488
H -1.404017 3.439592 -1.013748
H -1.250866 0.091220 2.664230
H -2.481916 3.935673 1.161368
H -2.406693 2.265128 3.005148
H 3.076259 -2.202336 1.901894
H -2.903024 -3.380542 -1.706834


%chk=000145994-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145994

0 1
S 3.389134 -0.749623 2.602306
O 1.750065 -2.129210 -0.069210
O -2.546654 -3.313532 -0.712310
O -1.428017 -1.746964 -2.015615
N -0.081064 -0.772303 0.365746
C 2.211106 0.264346 0.159463
C 2.474773 0.764750 -1.301072
C 1.438939 1.768273 -1.857707
C -0.047429 1.296360 -1.810064
C 1.286094 -0.960944 0.134317
C -0.707359 1.506746 -0.455536
C -0.702910 0.520527 0.571273
C 3.550353 -0.132442 0.814770
C -0.923029 -1.974184 0.417427
C -1.346444 2.743746 -0.172217
C -1.321019 0.770706 1.822363
C -1.970233 2.996046 1.067314
C -1.959269 2.001393 2.073374
C -1.620499 -2.281670 -0.906424
H 1.754029 1.076881 0.752334
H 2.545498 -0.117942 -1.966111
H 3.470489 1.252502 -1.322316
H 1.704017 1.974372 -2.913583
H 1.527277 2.732260 -1.317264
H -0.119044 0.236911 -2.113925
H -0.612458 1.880722 -2.560250
H 4.210908 0.747592 0.884728
H 4.051503 -0.922281 0.233765
H -1.690170 -1.884728 1.204065
H -0.276308 -2.840236 0.652389
H -1.362686 3.513444 -0.953561
H -1.273813 0.005037 2.605114
H -2.462535 3.957692 1.248876
H -2.429293 2.187607 3.044865
H 2.932653 -2.011164 2.257020
H -2.977304 -3.543489 -1.579647


