%chk=000183305.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183305

0 1
S 3.467640 -0.664305 -1.594233
O -4.298056 -0.934830 -1.661279
N 0.083019 -0.365360 0.405571
N 0.346761 3.426627 0.238385
N -1.897718 -0.782813 1.631687
C 0.473927 1.042892 0.719807
C 0.089007 2.077565 -0.361409
C 0.805473 -0.963762 -0.767820
C -1.351234 -0.566219 0.349040
C 2.242041 -1.136751 -0.434998
C -2.139376 -0.605764 -0.759027
C -0.918461 4.038469 0.742300
C 1.013271 4.335935 -0.739177
C 2.831583 -1.657568 0.676430
C -3.576467 -0.891604 -0.680129
C -3.270236 -1.054802 1.768407
C -4.083886 -1.109777 0.689804
C 4.276811 -1.681582 0.602109
C 4.772262 -1.183473 -0.561424
H 0.017469 1.319115 1.695650
H 1.576574 1.060707 0.884209
H 0.709199 1.917855 -1.268108
H -0.964175 1.934668 -0.685554
H 0.667294 -0.364643 -1.698369
H 0.355821 -1.970284 -0.976290
H -1.754539 -0.423199 -1.758033
H -1.285459 -0.789676 2.444747
H -1.388012 3.358363 1.469891
H -1.660562 4.276525 -0.034436
H -0.672112 4.968843 1.279577
H 0.434209 4.545348 -1.650239
H 1.982649 3.899693 -1.031012
H 1.231131 5.295613 -0.242300
H 2.295532 -2.020243 1.543666
H -3.619405 -1.213199 2.794167
H -5.148730 -1.316893 0.774681
H 4.875322 -2.069722 1.416052
H 5.797833 -1.091349 -0.873041


%chk=000183305-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183305

0 1
S 3.409057 -0.208654 -1.510676
O -4.209925 -2.320069 -1.560893
N -0.078193 -0.349303 0.203602
N 0.552643 3.428137 0.269807
N -2.167305 -0.175320 1.337717
C 0.424172 0.965540 0.678483
C 0.111985 2.134114 -0.295749
C 0.732525 -1.043930 -0.835437
C -1.459594 -0.624655 0.211695
C 2.200500 -1.096168 -0.494758
C -2.149228 -1.337359 -0.768373
C -0.422863 4.011565 1.212320
C 0.989118 4.402801 -0.751637
C 2.838130 -1.778229 0.532079
C -3.575839 -1.661247 -0.660264
C -3.530606 -0.427799 1.492534
C -4.237104 -1.138853 0.554099
C 4.271989 -1.614656 0.546256
C 4.744951 -0.808368 -0.477012
H 0.018618 1.197758 1.680565
H 1.515124 0.890207 0.812325
H 0.662473 1.960661 -1.238952
H -0.977472 2.129476 -0.549415
H 0.590836 -0.586325 -1.839382
H 0.344025 -2.076696 -0.902881
H -1.650180 -1.651236 -1.687078
H -1.651590 0.252352 2.105210
H -0.660898 3.293787 2.017430
H -1.384312 4.307630 0.721114
H 0.011534 4.909165 1.687156
H 0.165259 4.741038 -1.428889
H 1.786238 3.958266 -1.372848
H 1.406318 5.296572 -0.253424
H 2.288610 -2.380471 1.260451
H -3.982401 -0.024060 2.403330
H -5.306618 -1.324126 0.683738
H 4.927813 -2.085204 1.282668
H 5.768611 -0.525943 -0.715609


