%chk=000211998.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211998

0 1
S -1.597733 -2.844018 -0.224430
N 3.721465 0.405654 0.036808
C 1.630561 -0.647327 0.826306
C 0.312610 -1.223828 0.426456
C 2.372648 -0.082360 -0.401909
C -0.864670 -0.382947 0.178841
C -1.998079 -1.142067 -0.191447
C 0.065771 -2.544864 0.249011
C -0.974909 1.013027 0.267799
C -2.201647 1.620458 -0.012606
C -3.226876 -0.547825 -0.473758
C -3.321393 0.837558 -0.382538
C 3.626157 1.756667 0.666144
C 4.666614 0.442261 -1.119359
C -2.352024 3.105275 0.074387
H 1.490463 0.142212 1.593236
H 2.269549 -1.412452 1.318312
H 1.757905 0.698971 -0.896494
H 2.504310 -0.896436 -1.148326
H 0.746615 -3.371003 0.363678
H -0.111202 1.608076 0.554104
H -4.088717 -1.149426 -0.757141
H -4.268030 1.330105 -0.596819
H 4.619003 2.040189 1.051107
H 2.948150 1.703834 1.532953
H 3.273284 2.555812 -0.001523
H 4.791843 -0.580281 -1.510921
H 5.656140 0.770990 -0.762838
H 4.363518 1.098500 -1.947711
H -2.668404 3.531221 -0.888628
H -3.111367 3.384790 0.819181
H -1.421456 3.612035 0.359824


%chk=000211998-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211998

0 1
S -1.661846 -2.954287 -0.149867
N 3.765598 0.408450 -0.020363
C 1.649009 -0.655582 0.852478
C 0.296433 -1.223527 0.474385
C 2.410754 -0.078571 -0.371601
C -0.880652 -0.403859 0.187288
C -2.028980 -1.176483 -0.168184
C 0.036994 -2.571988 0.341397
C -1.005474 1.013082 0.233889
C -2.231618 1.640882 -0.066191
C -3.264985 -0.573214 -0.475067
C -3.354015 0.831700 -0.422425
C 3.750694 1.639705 0.795316
C 4.626504 0.558075 -1.212703
C -2.373752 3.152975 -0.016909
H 1.511768 0.132321 1.618463
H 2.286720 -1.435330 1.305366
H 1.793389 0.720929 -0.857171
H 2.523720 -0.888492 -1.116159
H 0.723495 -3.403111 0.500272
H -0.136674 1.622753 0.510384
H -4.137888 -1.175807 -0.746212
H -4.308770 1.317555 -0.658088
H 4.787004 1.923188 1.051595
H 3.208067 1.471386 1.740994
H 3.274587 2.508291 0.269538
H 4.680970 -0.402081 -1.755786
H 5.650321 0.831163 -0.899230
H 4.266420 1.340856 -1.928786
H -2.682451 3.560434 -0.998117
H -3.140823 3.461384 0.718381
H -1.424419 3.640002 0.264811


