%chk=000186497.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186497

1 1
S 0.349790 -2.100322 2.447319
O 5.362887 -2.755130 -1.255113
N 0.162213 0.216014 0.986766
C -0.543573 1.127211 0.203077
C 1.582193 0.499489 1.393247
C -2.515799 -0.317750 0.257248
C -0.457086 -0.959856 1.379359
C -1.867602 0.863257 -0.148640
C 2.573916 -0.401809 0.713999
C 0.102275 2.384980 -0.237580
C -1.772852 -1.234247 1.030068
C -3.910915 -0.591448 -0.114514
C 2.506230 -0.651827 -0.671848
C 3.634187 -0.937260 1.462338
C -0.186904 3.580703 0.438572
C 0.955236 2.384931 -1.352197
C -4.809722 -1.096313 0.842887
C -4.352729 -0.349521 -1.428057
C 3.451687 -1.449782 -1.292717
C 4.602495 -1.737924 0.858965
C 4.507676 -1.993339 -0.519192
C 0.387724 4.775456 -0.001811
C 1.521712 3.585247 -1.786042
C 1.239614 4.779217 -1.112075
C -6.135686 -1.349963 0.487552
C -5.677921 -0.615718 -1.777129
C -6.570866 -1.113091 -0.821250
C 6.512577 -3.347830 -0.591796
H 1.648874 0.426706 2.509422
H 1.832187 1.567679 1.155187
H -2.410509 1.608070 -0.748517
H -2.235075 -2.184348 1.338586
H 1.705962 -0.208294 -1.269528
H 3.717733 -0.723369 2.530898
H -0.858093 3.582996 1.298253
H 1.175937 1.453288 -1.878769
H -4.482109 -1.276831 1.867006
H -3.662525 0.030242 -2.181562
H 3.415901 -1.663061 -2.362127
H 5.421217 -2.141010 1.451498
H 0.167272 5.710049 0.519680
H 2.184222 3.592841 -2.654738
H 1.491262 -2.295679 1.735039
H 1.683672 5.717307 -1.455641
H -6.835131 -1.734922 1.232646
H -6.018931 -0.435193 -2.798662
H -7.608344 -1.316755 -1.096949
H 6.186874 -4.055422 0.175359
H 7.165603 -2.567189 -0.191134
H 6.998146 -3.872482 -1.428982


%chk=000186497-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186497

1 1
S 0.311196 -2.371343 2.220737
O 5.595862 -2.882031 -1.195890
N 0.143651 0.090516 0.871734
C -0.548820 1.076848 0.147813
C 1.547612 0.324176 1.345919
C -2.611399 -0.296194 0.239674
C -0.507485 -1.087387 1.240990
C -1.905391 0.879914 -0.144847
C 2.585385 -0.588176 0.694440
C 0.118491 2.341715 -0.275475
C -1.859391 -1.284556 0.927063
C -4.041156 -0.490362 -0.081756
C 2.434306 -1.105916 -0.623730
C 3.790833 -0.857981 1.392389
C -0.494796 3.575943 0.077881
C 1.289125 2.355633 -1.084569
C -4.855028 -1.343870 0.718910
C -4.635852 0.173281 -1.194334
C 3.451060 -1.868848 -1.217448
C 4.825168 -1.615607 0.805040
C 4.658232 -2.124358 -0.510814
C 0.061567 4.798410 -0.353869
C 1.834152 3.580824 -1.521233
C 1.226321 4.804690 -1.155369
C -6.219199 -1.522578 0.419430
C -5.998155 -0.014640 -1.497453
C -6.795754 -0.860962 -0.690978
C 6.876023 -3.185155 -0.532617
H 1.546144 0.174896 2.443011
H 1.778345 1.383187 1.154913
H -2.413152 1.675487 -0.693188
H -2.306415 -2.245070 1.191642
H 1.508056 -0.937038 -1.186003
H 3.932625 -0.468073 2.408134
H -1.389744 3.578791 0.710322
H 1.761311 1.418760 -1.398048
H -4.436409 -1.838885 1.602072
H -4.028772 0.805487 -1.851576
H 3.340731 -2.280292 -2.224870
H 5.741156 -1.803137 1.371887
H -0.411566 5.741749 -0.063631
H 2.727676 3.578956 -2.153443
H 1.599495 -2.134047 1.714214
H 1.654425 5.753326 -1.494700
H -6.835056 -2.169315 1.052141
H -6.437449 0.489512 -2.363915
H -7.855540 -1.003724 -0.925450
H 6.714842 -3.777935 0.387028
H 7.429572 -2.256887 -0.298329
H 7.438070 -3.779738 -1.265447


