%chk=000245190.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245190

0 1
O 2.548426 -0.635804 -0.917559
O -3.177845 0.647001 -1.781509
O -2.051195 2.173132 -0.544114
O 1.161822 1.664716 0.595567
O -0.286675 0.149536 1.139113
N 0.401245 0.747412 0.340697
C 1.430681 -0.331025 -1.668126
C 1.374860 -0.810342 -3.003233
C 0.326008 0.311655 -1.086299
C -0.847122 0.500103 -1.840615
C 0.196958 -0.619899 -3.728935
C -0.902524 0.030445 -3.155856
C 3.520179 0.466271 -0.761719
C 2.547487 -1.506209 -3.599049
C 4.309633 0.073724 0.452144
C -2.033312 1.215470 -1.280714
C -4.461730 1.178715 -1.306579
C -4.866323 0.450475 -0.058049
C 3.917855 0.535862 1.717563
C 5.433783 -0.755724 0.325853
C -5.818683 -0.576737 -0.118016
C -4.289915 0.799806 1.172480
C 4.657103 0.179141 2.848184
C 6.169414 -1.108664 1.460522
C 5.783319 -0.640706 2.720967
C -6.199052 -1.243255 1.050450
C -4.669712 0.126842 2.336094
C -5.625912 -0.892684 2.277061
H 0.128476 -0.984546 -4.756081
H -1.821751 0.163663 -3.735460
H 2.979614 1.424331 -0.632785
H 4.115092 0.487147 -1.690307
H 3.052717 -0.877787 -4.346728
H 3.296036 -1.774211 -2.832081
H 2.258444 -2.442987 -4.097813
H -5.110764 0.968625 -2.176815
H -4.367131 2.271038 -1.151616
H 3.031269 1.169337 1.818606
H 5.729826 -1.130568 -0.651866
H -6.259889 -0.861558 -1.071240
H -3.535264 1.590803 1.216275
H 4.351230 0.537983 3.830082
H 7.042078 -1.751853 1.363066
H 6.357428 -0.917486 3.603612
H -6.939483 -2.039729 1.003723
H -4.214770 0.394780 3.289093
H -5.920532 -1.415640 3.185312


%chk=000245190-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245190

0 1
O 2.610747 -0.682189 -0.560900
O -3.217040 0.842388 -1.569993
O -1.970468 1.742842 0.189729
O 1.278273 1.659601 0.802826
O -0.023630 -0.039670 1.592216
N 0.518498 0.629945 0.645620
C 1.446006 -0.512174 -1.331010
C 1.337739 -1.082937 -2.630751
C 0.330645 0.136911 -0.749439
C -0.904466 0.264289 -1.431901
C 0.097274 -0.968676 -3.305856
C -1.000396 -0.304209 -2.726857
C 3.699505 0.345485 -0.804159
C 2.513054 -1.814872 -3.242252
C 4.750760 0.160384 0.259111
C -2.046793 1.018634 -0.832772
C -4.446904 1.549648 -1.041614
C -5.236045 0.654838 -0.113496
C 4.515396 0.628305 1.578104
C 5.978436 -0.479474 -0.041621
C -6.321986 -0.110854 -0.608683
C -4.900331 0.573362 1.263488
C 5.495029 0.453760 2.578928
C 6.962202 -0.650323 0.958664
C 6.720827 -0.184051 2.271392
C -7.061824 -0.948583 0.255273
C -5.637451 -0.266419 2.126388
C -6.719770 -1.027926 1.625360
H -0.005990 -1.413509 -4.301766
H -1.948813 -0.215586 -3.261413
H 3.223598 1.341186 -0.745747
H 4.111663 0.182023 -1.818355
H 3.161547 -1.124212 -3.815991
H 3.133284 -2.277915 -2.456492
H 2.171090 -2.598435 -3.939262
H -5.003524 1.786892 -1.961450
H -4.107882 2.471336 -0.538864
H 3.564473 1.121156 1.811884
H 6.163418 -0.846215 -1.059151
H -6.586837 -0.051422 -1.671800
H -4.057181 1.159503 1.645795
H 5.306041 0.815739 3.595543
H 7.909997 -1.144284 0.717334
H 7.481850 -0.315317 3.049042
H -7.900707 -1.534948 -0.135836
H -5.369479 -0.326173 3.186874
H -7.292435 -1.677255 2.297159


