%chk=000245844.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245844

0 1
O 1.396525 1.119553 -2.119481
O 2.685415 -2.722080 0.107058
O -5.545999 -0.360092 1.780715
N 1.862705 -0.995284 -1.238156
N -0.214402 -2.340988 -1.405762
N -4.578643 0.931337 0.132339
C 2.940020 0.811667 -0.221649
C 3.343227 -0.372740 0.458071
C 0.954692 -1.803950 -2.110846
C 1.975730 0.441416 -1.311676
C 2.650431 -1.550747 -0.164993
C 3.423324 2.047427 0.148852
C 4.231165 -0.325365 1.510359
C -1.258238 -1.461948 -0.975228
C 4.335874 2.099385 1.230310
C 4.729578 0.943395 1.893515
C -2.165384 -1.938482 -0.003606
C -1.460086 -0.193177 -1.549633
C -3.465879 0.093035 -0.210710
C -3.261860 -1.170591 0.373495
C -2.556943 0.577331 -1.172393
C -5.555708 0.652631 1.108889
C -6.604610 1.724896 1.237890
H 0.635909 -1.152330 -2.965436
H 1.543908 -2.669745 -2.509792
H 0.033962 -3.058332 -0.714129
H 3.116626 2.957466 -0.368455
H 4.542194 -1.230192 2.034503
H 4.730268 3.068440 1.540971
H 5.433486 1.003713 2.725443
H -2.020260 -2.917444 0.451433
H -0.759724 0.204413 -2.288212
H -3.962771 -1.551472 1.126554
H -2.697567 1.555576 -1.628696
H -4.645311 1.803549 -0.393094
H -6.183514 2.694411 1.532419
H -7.328559 1.440260 2.020719
H -7.177881 1.865960 0.312610


%chk=000245844-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245844

0 1
O 1.585479 1.235984 -2.124720
O 2.718915 -2.699446 0.196786
O -6.100624 -0.599555 1.515138
N 1.925123 -0.909615 -1.147218
N -0.196212 -2.176584 -1.158272
N -4.827240 0.859153 0.184970
C 3.216801 0.824627 -0.282933
C 3.560333 -0.358203 0.418897
C 0.930308 -1.708529 -1.924208
C 2.162239 0.488663 -1.294892
C 2.737212 -1.485009 -0.126880
C 3.829925 2.052052 0.007608
C 4.528486 -0.351283 1.433787
C -1.321488 -1.397522 -0.814026
C 4.811386 2.069390 1.033305
C 5.155038 0.886388 1.735472
C -2.337160 -1.973739 -0.000632
C -1.499721 -0.061037 -1.267368
C -3.677644 0.067377 -0.119199
C -3.498745 -1.262619 0.348199
C -2.666053 0.649389 -0.924847
C -5.944180 0.524103 0.949291
C -6.981641 1.646111 1.047404
H 0.611769 -1.062279 -2.759603
H 1.468575 -2.582265 -2.328034
H -0.064674 -3.052136 -0.651409
H 3.556176 2.958865 -0.540652
H 4.785268 -1.270343 1.969751
H 5.311796 3.009498 1.288782
H 5.915302 0.931249 2.522530
H -2.217690 -3.003174 0.360571
H -0.736843 0.440854 -1.871064
H -4.270325 -1.717929 0.971243
H -2.779974 1.680183 -1.286560
H -4.823408 1.799259 -0.218348
H -6.552226 2.556141 1.506609
H -7.814422 1.295050 1.673485
H -7.378162 1.917834 0.051234


