%chk=000217530.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217530

0 1
S -8.499115 0.530894 0.147849
N -4.580487 -0.386112 -0.226372
C 4.255415 -0.125200 0.395483
C 5.482975 -1.028649 0.132829
C 4.573052 1.202311 -0.330136
C 6.680177 -0.078276 -0.045498
C 6.107879 1.315149 -0.376515
C 2.948586 -0.779967 -0.075452
C 1.713740 0.023145 0.353863
C 0.415808 -0.661439 -0.095805
C -0.819100 0.143367 0.331703
C -2.114530 -0.542068 -0.119839
C -3.347151 0.267977 0.312925
C -5.823697 0.288975 0.265658
C -7.012448 -0.323667 -0.473971
H 4.187287 0.073236 1.490911
H 5.644033 -1.738542 0.958075
H 5.336886 -1.635255 -0.777512
H 4.156054 1.198559 -1.351956
H 4.118072 2.060241 0.187733
H 7.286583 -0.038258 0.875219
H 7.351802 -0.433625 -0.843560
H 6.446288 1.657405 -1.368070
H 6.467793 2.064045 0.348709
H 2.957777 -0.898193 -1.176076
H 2.886066 -1.807099 0.334092
H 1.765685 1.045550 -0.067869
H 1.711497 0.150817 1.453531
H 0.419323 -0.788771 -1.195816
H 0.364031 -1.684028 0.325002
H -0.765592 1.165028 -0.092716
H -0.821186 0.272281 1.431304
H -2.164048 -1.568238 0.291244
H -2.120219 -0.660424 -1.223000
H -3.361653 0.383571 1.418207
H -3.294629 1.294007 -0.116152
H -4.595737 -1.374913 0.047523
H -5.955857 0.207274 1.367903
H -5.746397 1.376875 0.031938
H -6.902321 -0.184239 -1.567157
H -7.094498 -1.410346 -0.292731
H -9.407345 0.049501 -0.726296


%chk=000217530-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217530

0 1
S -8.681829 0.554292 0.102464
N -4.653864 -0.392130 -0.086224
C 4.328605 -0.167452 0.309113
C 5.573333 -1.029273 -0.031042
C 4.643768 1.167157 -0.421350
C 6.773356 -0.045694 0.061816
C 6.180384 1.372815 -0.254316
C 2.986511 -0.821864 -0.083160
C 1.740926 0.008787 0.302671
C 0.410127 -0.682960 -0.069279
C -0.836441 0.139883 0.326919
C -2.165376 -0.536840 -0.076779
C -3.404036 0.277716 0.342921
C -5.899367 0.317249 0.274820
C -7.086611 -0.318057 -0.466275
H 4.323914 0.024085 1.404942
H 5.684571 -1.903683 0.636273
H 5.469821 -1.414734 -1.066010
H 4.383378 1.053970 -1.493700
H 4.061545 2.021475 -0.031803
H 7.201019 -0.062436 1.081731
H 7.587478 -0.321665 -0.632263
H 6.628067 1.813040 -1.163629
H 6.391535 2.071997 0.575809
H 2.982963 -1.001437 -1.179769
H 2.913383 -1.821017 0.396163
H 1.786210 0.998819 -0.194925
H 1.758077 0.207463 1.395195
H 0.390778 -0.874577 -1.162563
H 0.364343 -1.678156 0.421012
H -0.777537 1.142101 -0.146901
H -0.825837 0.313138 1.423498
H -2.215275 -1.546601 0.384846
H -2.197669 -0.688441 -1.173275
H -3.368072 0.457293 1.448143
H -3.369959 1.274452 -0.140775
H -4.674306 -1.373376 0.228054
H -6.103861 0.327631 1.374681
H -5.797729 1.372459 -0.041279
H -6.964744 -0.189578 -1.552787
H -7.173647 -1.392568 -0.228460
H -9.517131 -0.030383 -0.835308


