%chk=000231021.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231021

0 1
S 2.436939 0.032354 0.358794
N -2.442489 0.873070 0.989986
N -0.510744 -0.073305 1.809037
N -1.514371 1.807634 -1.149273
N 0.880926 1.362150 -1.376112
C -3.872127 1.213241 0.865186
C -1.447721 1.131697 0.045540
C -0.234601 0.543165 0.581210
C -4.657676 0.052643 0.301423
C -1.818955 0.116983 2.030726
C 0.931755 0.699590 -0.201647
C -5.507289 -0.693891 1.128497
C -4.536367 -0.271102 -1.057775
C 3.626878 0.477236 -0.949053
C 4.920607 -0.091734 -0.472200
C -6.237873 -1.759194 0.593228
C -5.266697 -1.338514 -1.585706
C -0.330013 1.884577 -1.798349
C -6.118522 -2.082532 -0.761995
C 5.286728 -1.402310 -0.820066
C 5.780158 0.680363 0.326348
C 6.501431 -1.930394 -0.375702
C 6.993385 0.145955 0.767187
C 7.356796 -1.158409 0.417039
H -3.970323 2.106551 0.194099
H -4.257289 1.525625 1.863576
H -2.375238 -0.236179 2.889092
H -5.603986 -0.450415 2.184486
H -3.867973 0.308337 -1.698723
H 3.658419 1.576981 -1.088794
H 3.302606 0.065462 -1.926440
H -6.899645 -2.339104 1.234926
H -5.170991 -1.591576 -2.640977
H -0.313422 2.414501 -2.764849
H -6.687125 -2.913795 -1.175991
H 4.622592 -2.010331 -1.432711
H 5.500469 1.694858 0.606770
H 6.781078 -2.947291 -0.646827
H 7.656533 0.747594 1.386904
H 8.302139 -1.572292 0.762039


%chk=000231021-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231021

0 1
S 2.454868 -0.116273 0.645838
N -2.497421 0.816301 1.036362
N -0.618745 -0.119274 1.981773
N -1.506727 1.679524 -1.063915
N 0.896534 1.211718 -1.207129
C -3.912058 1.207448 0.828243
C -1.453651 1.041348 0.137843
C -0.292810 0.459827 0.742119
C -4.766832 0.086607 0.245512
C -1.938374 0.112399 2.113435
C 0.913951 0.573797 0.001157
C -5.735501 -0.572001 1.040976
C -4.597647 -0.303609 -1.107943
C 3.647351 0.351543 -0.789724
C 5.037912 -0.117783 -0.440822
C -6.523435 -1.612561 0.496693
C -5.382244 -1.343603 -1.651255
C -0.286988 1.724999 -1.673131
C -6.346662 -2.001253 -0.850583
C 5.476577 -1.415984 -0.810462
C 5.931622 0.732244 0.261423
C 6.780677 -1.853430 -0.489706
C 7.236264 0.297391 0.583251
C 7.664544 -0.997565 0.208284
H -3.887562 2.073819 0.143765
H -4.316328 1.544543 1.798954
H -2.538184 -0.205436 2.964074
H -5.878413 -0.270906 2.086748
H -3.852730 0.211141 -1.726847
H 3.572254 1.442917 -0.905158
H 3.241026 -0.127044 -1.693154
H -7.271216 -2.115484 1.119784
H -5.246085 -1.639340 -2.697377
H -0.243160 2.224535 -2.644963
H -6.955959 -2.807197 -1.274436
H 4.792147 -2.082417 -1.349059
H 5.600455 1.735472 0.555613
H 7.107255 -2.857311 -0.783319
H 7.916656 0.965265 1.123229
H 8.676636 -1.336168 0.456812


