%chk=000250409.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250409

0 1
O 3.200383 -1.202861 -0.401936
O -0.033467 1.976735 -0.198289
O 3.637236 1.020113 -0.347311
O 0.425745 0.440151 -1.796992
O 2.342733 -0.542712 3.070376
N 1.522745 1.046196 1.625711
N -2.243635 -1.168439 2.765804
N -5.794373 -0.847807 -0.682648
C 1.440458 0.191251 0.429687
C 0.850552 -1.213695 0.701315
C -0.518080 -1.175597 1.268001
C -1.759211 -1.113164 0.526388
C -2.823290 -1.107377 1.492182
C -0.835439 -1.213647 2.615515
C 2.886476 0.097359 -0.149037
C 0.574716 0.852464 -0.672794
C -2.086436 -1.073520 -0.840445
C -4.180391 -1.053001 1.127780
C -4.457524 -0.997701 -0.240547
C -3.413185 -1.015480 -1.220441
C 1.963235 0.598354 2.881556
C 4.524913 -1.494979 -0.966130
C -0.965183 2.686184 -1.087991
C 1.936907 1.660953 3.944775
C 4.536947 -1.155005 -2.439987
C -0.190337 3.477465 -2.116635
H 0.870921 -1.801664 -0.245461
H 1.544533 -1.757013 1.394844
H -0.175796 -1.277561 3.464422
H 1.194253 2.009050 1.504437
H -2.732514 -1.196535 3.637473
H -1.290024 -1.085703 -1.589824
H -4.960702 -1.041266 1.875258
H -3.674971 -0.974305 -2.273663
H 5.281070 -0.936002 -0.387506
H 4.591697 -2.579645 -0.762140
H -1.646275 1.939119 -1.535281
H -1.499108 3.315003 -0.352076
H 2.610572 2.497740 3.710936
H 2.276978 1.237063 4.904189
H 0.932266 2.072032 4.107998
H -5.992009 -1.138984 -1.628709
H -6.517458 -1.130112 -0.037692
H 3.671136 -1.587037 -2.960682
H 4.494807 -0.066638 -2.599706
H 5.443325 -1.526474 -2.931775
H 0.583016 4.103703 -1.652668
H 0.321790 2.811963 -2.829719
H -0.849101 4.134627 -2.697061


%chk=000250409-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250409

0 1
O 3.196552 -1.243619 -0.478089
O -0.020924 1.945212 -0.284299
O 3.687347 0.988699 -0.027174
O 0.600528 0.334401 -1.849958
O 2.892497 -0.312728 2.841818
N 1.376209 0.983294 1.660699
N -2.334230 -1.248235 2.820119
N -5.979659 -0.992198 -0.571214
C 1.411456 0.124828 0.472869
C 0.775847 -1.299562 0.735774
C -0.616612 -1.256211 1.306274
C -1.881025 -1.168694 0.584715
C -2.938896 -1.165959 1.561152
C -0.936770 -1.307998 2.662145
C 2.897778 0.019798 -0.013287
C 0.642455 0.794211 -0.688281
C -2.242736 -1.119279 -0.788951
C -4.307252 -1.107022 1.218793
C -4.640933 -1.053848 -0.158789
C -3.598626 -1.064342 -1.148625
C 2.136753 0.709330 2.776943
C 4.580349 -1.439880 -1.018755
C -0.848789 2.647280 -1.320577
C 2.036465 1.724842 3.908721
C 4.651418 -1.007141 -2.485146
C 0.017624 3.603523 -2.141938
H 0.805159 -1.845368 -0.222015
H 1.464711 -1.807276 1.430473
H -0.273511 -1.397262 3.520857
H 0.778655 1.810226 1.610377
H -2.826970 -1.295546 3.708546
H -1.473064 -1.133121 -1.568454
H -5.092981 -1.109438 1.984014
H -3.879345 -1.035791 -2.209067
H 5.281660 -0.866776 -0.387783
H 4.749315 -2.520901 -0.892637
H -1.326763 1.877116 -1.949654
H -1.609983 3.173083 -0.723073
H 2.954124 2.340162 3.920715
H 1.984144 1.190125 4.871151
H 1.164482 2.395129 3.815846
H -6.215688 -0.993827 -1.558362
H -6.736372 -1.015373 0.104943
H 3.888203 -1.530105 -3.086245
H 4.496515 0.080174 -2.581079
H 5.648421 -1.253488 -2.895649
H 0.536484 4.327712 -1.490819
H 0.768890 3.048191 -2.727324
H -0.622010 4.167253 -2.846199


