%chk=000215902.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215902

0 1
O -0.976812 -1.463610 -2.065640
O -2.848498 2.267560 1.595219
N 5.536057 -0.591353 0.602892
N 0.655871 0.548879 -1.103402
N -4.669278 0.052210 0.744672
C 2.923624 1.502667 -1.272949
C 1.434351 1.816940 -1.012291
C 3.529463 0.628062 -0.170907
C 5.025162 0.370662 -0.427706
C 0.922068 2.862921 -2.013001
C 6.721259 -1.353447 0.113497
C 5.782801 0.090531 1.915867
C -0.676071 0.485867 -0.672544
C -1.481994 -0.589396 -1.101923
C -1.229942 1.418331 0.244022
C -2.811267 -0.748763 -0.648999
C 7.963337 -0.529889 -0.241494
C 5.854401 -0.942344 3.041803
C -3.365737 0.181946 0.278035
C -2.528713 1.271558 0.716606
C -3.653452 -1.821908 -1.107304
C -5.415200 -0.958535 0.310124
C -4.930214 -1.933344 -0.640527
C -0.305088 -2.619283 -1.489989
C -6.813002 -1.078987 0.829325
C -4.159692 2.320964 2.214567
H 3.479620 2.458188 -1.345710
H 3.047417 1.013566 -2.258427
H 1.317042 2.216871 0.031398
H 2.992233 -0.341428 -0.105380
H 3.386334 1.100063 0.820557
H 5.586068 1.328716 -0.442621
H 5.152292 -0.083560 -1.434507
H 0.863238 -0.021229 -1.930890
H -0.146071 3.069194 -1.860080
H 1.453366 3.814080 -1.906591
H 1.037343 2.534871 -3.051603
H 6.391646 -1.940328 -0.773057
H 6.979855 -2.101585 0.896657
H 4.930752 0.781225 2.111094
H 6.703180 0.713732 1.910606
H -0.634569 2.256705 0.603392
H 7.772068 0.166211 -1.064256
H 8.314564 0.059731 0.612901
H 8.788937 -1.180440 -0.549437
H 5.832599 -0.456075 4.022088
H 6.765697 -1.547370 2.986569
H 5.002950 -1.635016 2.990941
H -3.235817 -2.516579 -1.839392
H -5.594956 -2.729072 -0.965849
H 0.541260 -2.299193 -0.875864
H -1.011748 -3.208456 -0.900722
H 0.026115 -3.163494 -2.379536
H -6.962187 -2.036011 1.347726
H -7.057532 -0.278942 1.545404
H -7.545337 -1.018528 0.012485
H -4.933970 2.437563 1.449634
H -4.331843 1.420579 2.812820
H -4.063979 3.215570 2.840097


%chk=000215902-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215902

0 1
O -0.719922 -1.518945 -1.848343
O -3.119058 2.483639 1.359454
N 5.494220 -0.678777 0.495491
N 0.590845 0.812395 -1.202646
N -4.701486 0.021681 0.686394
C 2.906659 1.654276 -1.239622
C 1.415699 2.021196 -1.037498
C 3.457915 0.652054 -0.201224
C 4.961247 0.365088 -0.416352
C 0.980141 3.160267 -1.996615
C 6.650972 -1.421269 -0.069565
C 5.687502 -0.188822 1.884420
C -0.702705 0.644033 -0.723238
C -1.394813 -0.552645 -1.037258
C -1.368778 1.613364 0.087196
C -2.725730 -0.766271 -0.601469
C 7.969046 -0.618223 -0.259176
C 5.946397 -1.316675 2.901229
C -3.405706 0.216053 0.234772
C -2.672032 1.419383 0.572770
C -3.473641 -1.941608 -0.958274
C -5.367924 -1.100667 0.346320
C -4.773191 -2.108088 -0.491881
C -0.032690 -2.563095 -1.049841
C -6.780749 -1.269862 0.869158
C -4.456507 2.540996 1.971846
H 3.496604 2.591887 -1.203043
H 3.039108 1.245854 -2.265399
H 1.292469 2.371774 0.007944
H 2.907455 -0.305564 -0.254608
H 3.283227 1.057996 0.815030
H 5.528841 1.328888 -0.338248
H 5.100804 0.003745 -1.454960
H 0.882367 0.124137 -1.902052
H -0.096615 3.378808 -1.888050
H 1.544851 4.088247 -1.788407
H 1.164456 2.871519 -3.048192
H 6.331242 -1.827678 -1.048735
H 6.849006 -2.296177 0.576602
H 4.760955 0.336900 2.179107
H 6.511310 0.568015 1.951268
H -0.877144 2.550430 0.360167
H 7.820807 0.247157 -0.930818
H 8.360256 -0.240920 0.703388
H 8.746560 -1.264933 -0.707101
H 5.949470 -0.907507 3.928277
H 6.920631 -1.812425 2.739785
H 5.152910 -2.081804 2.831239
H -3.006067 -2.677740 -1.620053
H -5.358614 -2.993732 -0.761906
H 0.711198 -2.109201 -0.366458
H -0.762899 -3.146890 -0.457817
H 0.470766 -3.219019 -1.777781
H -6.876718 -2.187270 1.480947
H -7.055374 -0.402664 1.490075
H -7.509112 -1.354691 0.039966
H -5.249088 2.512199 1.207320
H -4.614034 1.703022 2.669297
H -4.455339 3.505961 2.505569


