%chk=000231857.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231857

0 1
S -3.751457 -0.789681 1.254891
S 3.753941 -0.777731 -1.263420
O -3.855660 -0.772023 2.693816
O -3.336138 -2.014343 0.589284
O 3.861521 -0.746412 -2.701871
O 3.336983 -2.008681 -0.610569
N -2.612118 0.434189 0.831179
N 2.613566 0.442123 -0.830959
C -5.197646 -0.196774 0.527347
C 5.198368 -0.191828 -0.526787
C -1.391574 0.336092 0.435719
C 1.391952 0.340273 -0.439785
C -0.639909 1.601500 0.197738
C -0.638233 -0.925436 0.189285
C 0.639556 1.603364 -0.191985
C 0.638174 -0.923550 -0.206821
C -5.688969 -0.804279 -0.633703
C 5.687977 -0.811721 0.628431
C -5.880513 0.879782 1.102240
C 5.881550 0.891434 -1.088556
C -6.864120 -0.331535 -1.223452
C 6.861742 -0.344734 1.225474
C -7.056256 1.354061 0.511843
C 7.055902 1.359956 -0.490838
C -7.545831 0.748402 -0.650225
C 7.543780 0.741870 0.665386
H -1.201873 2.525162 0.372758
H -1.194731 -1.868124 0.338965
H 1.201024 2.528672 -0.359763
H 1.194358 -1.864781 -0.366369
H -5.156879 -1.654810 -1.077008
H 5.155589 -1.667364 1.061442
H -5.502000 1.350125 2.015833
H 5.504376 1.371581 -1.997584
H -7.248985 -0.803995 -2.126186
H 7.245272 -0.826830 2.123672
H -7.589607 2.192084 0.958326
H 7.589497 2.203189 -0.927102
H -8.463272 1.117802 -1.110824
H 8.460144 1.106771 1.131681


%chk=000231857-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231857

0 1
S -3.785522 -0.906427 0.979154
S 3.782478 -0.894969 -0.984469
O -3.824670 -1.029090 2.600548
O -3.399980 -2.201349 0.052660
O 3.815636 -0.999975 -2.607272
O 3.399315 -2.199708 -0.070870
N -2.704305 0.681573 0.615072
N 2.703242 0.689221 -0.598572
C -5.433286 -0.232015 0.370586
C 5.432809 -0.228126 -0.374539
C -1.415602 0.508520 0.317541
C 1.414765 0.512604 -0.302224
C -0.668766 1.775073 0.159942
C -0.670620 -0.755006 0.141539
C 0.668039 1.776984 -0.127769
C 0.670002 -0.753093 -0.141785
C -5.855742 -0.601297 -0.915866
C 5.859318 -0.611112 0.906557
C -6.176404 0.575060 1.246654
C 6.173523 0.587608 -1.244594
C -7.110414 -0.116281 -1.352717
C 7.115741 -0.131439 1.344262
C -7.427286 1.049825 0.788926
C 7.426241 1.056797 -0.786115
C -7.887513 0.708198 -0.505216
C 7.890541 0.701383 0.502840
H -1.233650 2.703011 0.289116
H -1.219960 -1.698018 0.232164
H 1.232891 2.706549 -0.244802
H 1.219519 -1.694825 -0.243986
H -5.238946 -1.258796 -1.536917
H 5.244152 -1.274676 1.522747
H -5.801188 0.804559 2.248830
H 5.795097 0.827828 -2.243045
H -7.477668 -0.385381 -2.348293
H 7.486135 -0.411121 2.335751
H -8.038387 1.680917 1.442233
H 8.035562 1.694318 -1.434826
H -8.858628 1.078755 -0.850751
H 8.863032 1.067719 0.849010


