%chk=000216238.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216238

0 1
O -0.710534 1.029929 -0.503004
O -2.053141 -1.129666 0.594335
O -0.195935 2.250937 1.350381
O -2.617897 -1.831274 -1.498791
N 5.742589 -0.096384 -0.416434
C 4.301363 -0.028522 -0.043316
C 3.593158 0.891959 -1.058218
C 3.597227 -1.408502 -0.020115
C 2.150153 1.145716 -0.617198
C 1.428726 -0.102512 -0.201027
C 2.105001 -1.299385 0.111617
C 0.027309 -0.083879 -0.088126
C 1.383101 -2.431167 0.528751
C -0.679974 -1.215254 0.352180
C -0.006539 -2.402732 0.648899
C 6.591507 -0.744684 0.619546
C -0.791407 2.161275 0.312556
C -1.715225 3.138337 -0.405084
C -2.964747 -1.439339 -0.420281
C -4.349473 -1.187068 0.164748
C -1.036401 4.505601 -0.449184
C -3.047910 3.169258 0.341097
C -5.214021 -2.421182 -0.083834
C -4.921009 0.069999 -0.488603
H 4.229066 0.429539 0.977853
H 4.142775 1.850473 -1.142208
H 3.611195 0.442213 -2.068693
H 3.826542 -1.968701 -0.951266
H 4.011645 -2.017657 0.807778
H 2.131038 1.858393 0.240760
H 1.591675 1.647298 -1.436252
H 5.861786 -0.583629 -1.310315
H 1.915355 -3.352718 0.763810
H -0.565143 -3.277870 0.974210
H 7.645815 -0.662884 0.305499
H 6.497989 -0.197756 1.572595
H 6.368358 -1.804595 0.809406
H -1.886984 2.772381 -1.453239
H -4.250709 -1.016924 1.270665
H -1.689480 5.255046 -0.912519
H -0.104902 4.480259 -1.027530
H -0.786991 4.867915 0.558625
H -2.918548 3.419465 1.402924
H -3.561616 2.191700 0.287915
H -3.722159 3.919552 -0.088909
H -5.276440 -2.664567 -1.154261
H -4.817718 -3.305860 0.429515
H -6.238008 -2.264069 0.275657
H -4.965630 -0.021291 -1.582419
H -4.310006 0.960475 -0.252649
H -5.940628 0.266848 -0.136744


%chk=000216238-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216238

0 1
O -0.823624 0.923396 -0.420230
O -2.119513 -1.267740 0.717965
O -0.181814 2.224893 1.425412
O -2.564949 -1.475073 -1.579939
N 5.732888 -0.059046 -0.447893
C 4.296968 -0.009420 -0.097745
C 3.522764 0.801567 -1.157070
C 3.624040 -1.404772 0.052072
C 2.071481 1.063383 -0.704919
C 1.378644 -0.178367 -0.158792
C 2.108539 -1.340060 0.222976
C -0.026528 -0.189771 -0.000128
C 1.414997 -2.457251 0.751561
C -0.707267 -1.314529 0.506030
C 0.012634 -2.457949 0.890555
C 6.637878 -0.647134 0.557228
C -0.842783 2.100776 0.377725
C -1.762337 3.143165 -0.245931
C -2.980272 -1.316034 -0.419484
C -4.433126 -1.179041 0.019895
C -0.926577 4.386362 -0.650310
C -2.871014 3.521755 0.770041
C -5.173785 -2.516513 -0.249559
C -5.097524 -0.008888 -0.749044
H 4.218867 0.525245 0.872088
H 4.046310 1.758715 -1.330455
H 3.527824 0.241268 -2.115845
H 3.862041 -1.993132 -0.861180
H 4.066313 -1.957676 0.902737
H 2.070688 1.836772 0.089772
H 1.477791 1.480882 -1.540534
H 5.878076 -0.454254 -1.387351
H 1.984080 -3.344141 1.054037
H -0.525610 -3.320237 1.294614
H 7.683208 -0.543449 0.214703
H 6.542375 -0.083092 1.503833
H 6.461446 -1.724889 0.790550
H -2.216877 2.695937 -1.147329
H -4.440198 -0.968173 1.103403
H -1.586221 5.150210 -1.099279
H -0.146817 4.129169 -1.389613
H -0.435576 4.824906 0.236353
H -2.422982 3.926708 1.694385
H -3.489123 2.647207 1.042799
H -3.533239 4.290653 0.333498
H -5.145924 -2.761289 -1.326095
H -4.717637 -3.352696 0.309827
H -6.229795 -2.428736 0.062713
H -5.045281 -0.187124 -1.837428
H -4.599995 0.953943 -0.533068
H -6.159266 0.078060 -0.456450


