%chk=000215005.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215005

0 1
O -2.842338 -0.937370 0.162738
O 3.576740 -0.650229 -0.110459
N 2.282505 1.258153 -0.156317
C -0.741473 -2.765490 0.169178
C -2.628479 2.014667 0.004843
C -0.507984 -1.251451 0.083500
C -1.431238 1.058846 0.004516
C -1.596363 -0.341224 0.081887
C -1.481155 -3.077807 1.484850
C -1.584431 -3.205053 -1.044030
C 0.578716 -3.561055 0.155252
C -2.213793 3.495821 -0.086903
C -3.420083 1.823551 1.316424
C -3.522851 1.695713 -1.212416
C 0.777081 -0.718534 0.004513
C -0.122709 1.548804 -0.073327
C 0.974047 0.670583 -0.073510
C 3.508375 0.565039 -0.170106
C 4.703752 1.458236 -0.264075
C 5.928966 0.934481 -0.278321
H -1.652415 -4.151510 1.599438
H -2.461730 -2.583507 1.514948
H -0.911269 -2.733056 2.352727
H -1.088537 -2.951161 -1.985554
H -1.759862 -4.284157 -1.036245
H -2.566297 -2.712411 -1.043557
H 0.386568 -4.637010 0.217301
H 1.150024 -3.387498 -0.763535
H 1.222255 -3.298591 1.002407
H -3.093174 4.149705 -0.084338
H -1.589548 3.794823 0.762042
H -1.661339 3.705208 -1.009260
H -2.780968 2.004784 2.189029
H -4.267364 2.513335 1.378561
H -3.816141 0.804311 1.419508
H -4.375380 2.378983 -1.274677
H -2.957294 1.785858 -2.147708
H -3.921467 0.672777 -1.180191
H 1.654814 -1.379528 0.002293
H 0.053503 2.620893 -0.134592
H -3.582648 -0.264862 0.159045
H 2.295629 2.277272 -0.208567
H 4.529531 2.531367 -0.319401
H 6.830855 1.529681 -0.344931
H 6.107566 -0.138585 -0.223479


%chk=000215005-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215005

0 1
O -2.928799 -0.946510 0.169766
O 3.687510 -0.699529 -0.104108
N 2.290140 1.197629 -0.158774
C -0.757625 -2.834700 0.171399
C -2.634983 2.041715 0.002147
C -0.541203 -1.300903 0.084878
C -1.444621 1.039576 0.001567
C -1.633552 -0.378283 0.083691
C -1.483777 -3.197260 1.503571
C -1.600391 -3.324963 -1.046328
C 0.587788 -3.610882 0.148639
C -2.153605 3.516332 -0.097516
C -3.442267 1.941171 1.338511
C -3.560764 1.806896 -1.237373
C 0.766480 -0.771904 0.003419
C -0.114814 1.507497 -0.078803
C 0.987906 0.622833 -0.077589
C 3.534577 0.561339 -0.168068
C 4.685155 1.517386 -0.258013
C 5.967287 1.071305 -0.272717
H -1.631513 -4.292574 1.558738
H -2.467559 -2.707807 1.570972
H -0.874294 -2.889952 2.373808
H -1.082041 -3.094682 -1.995822
H -1.734048 -4.421841 -0.986764
H -2.594147 -2.851602 -1.063701
H 0.375527 -4.694020 0.213040
H 1.154523 -3.435853 -0.784131
H 1.237105 -3.345967 1.003046
H -3.032811 4.186051 -0.091258
H -1.513679 3.798902 0.758097
H -1.597591 3.705030 -1.033874
H -2.787391 2.188169 2.193263
H -4.283170 2.659212 1.326930
H -3.864808 0.940732 1.546683
H -4.393671 2.534270 -1.229244
H -2.985500 1.949093 -2.169820
H -4.006847 0.796531 -1.296012
H 1.635633 -1.426765 0.001225
H 0.073609 2.583811 -0.142569
H -3.616525 -0.239716 0.159358
H 2.310326 2.218886 -0.213504
H 4.467955 2.594387 -0.311489
H 6.819266 1.755609 -0.337524
H 6.163807 -0.005843 -0.218244


