%chk=000117029.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117029

1 1
S 3.403595 1.724143 0.352727
N 2.607648 -0.628900 -0.320423
C 1.408570 0.118831 -0.060291
C 1.690719 1.450370 0.320805
C 3.736668 0.089176 -0.128488
C 2.570376 -2.072462 -0.708473
C 0.087734 -0.343206 -0.153224
C -0.943800 0.554276 0.143222
C 0.657960 2.347291 0.614517
C -0.650051 1.891282 0.524442
C -2.351762 0.112800 0.062506
C 5.110802 -0.383905 -0.303024
C 2.453961 -2.956379 0.521032
C -3.190348 0.238582 1.181785
C -2.851470 -0.428073 -1.133062
C -4.520543 -0.181028 1.103088
C -4.185019 -0.838121 -1.205410
C -5.019337 -0.717454 -0.088856
H 1.705181 -2.230273 -1.399929
H 3.486333 -2.320521 -1.296523
H -0.141868 -1.371541 -0.436435
H 0.873994 3.379011 0.905332
H -1.482644 2.570884 0.741727
H 5.320121 -1.323755 0.246869
H 5.361448 -0.581292 -1.366436
H 5.875038 0.338894 0.048096
H 3.313544 -2.868147 1.199140
H 2.392551 -4.019591 0.231590
H 1.551999 -2.746089 1.115368
H -2.807124 0.653793 2.113414
H -2.209641 -0.514883 -2.008346
H -5.172671 -0.087858 1.973270
H -4.577701 -1.251253 -2.135852
H -6.060562 -1.040005 -0.148259


%chk=000117029-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117029

1 1
S 3.510667 1.748035 0.513906
N 2.634420 -0.570947 -0.323211
C 1.440653 0.147217 -0.012546
C 1.721054 1.454439 0.466209
C 3.787159 0.106147 -0.107928
C 2.595341 -1.990144 -0.804499
C 0.113553 -0.311035 -0.134732
C -0.949738 0.555586 0.224493
C 0.684109 2.331588 0.831958
C -0.638113 1.869782 0.703954
C -2.364519 0.111220 0.104605
C 5.162310 -0.418358 -0.363663
C 2.417361 -2.990035 0.354567
C -3.342987 0.554772 1.037140
C -2.766729 -0.767741 -0.939439
C -4.682567 0.127432 0.931001
C -4.107166 -1.191174 -1.047188
C -5.070153 -0.746526 -0.111171
H 1.767505 -2.060495 -1.529990
H 3.528020 -2.186390 -1.356284
H -0.106391 -1.328902 -0.468053
H 0.888076 3.343921 1.190923
H -1.458147 2.549943 0.952227
H 5.324642 -1.392708 0.131411
H 5.344118 -0.553416 -1.447199
H 5.924031 0.280950 0.013754
H 3.261421 -2.945133 1.064108
H 2.374575 -4.013013 -0.056804
H 1.485095 -2.809043 0.914893
H -3.053705 1.205355 1.870261
H -2.042971 -1.085813 -1.699313
H -5.421345 0.468693 1.663228
H -4.404699 -1.854794 -1.865568
H -6.111176 -1.074816 -0.195152


