%chk=000115434.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000115434

2 1
O -0.221502 0.080313 0.280191
N -3.317676 -0.405403 0.646755
N 3.484791 0.355773 0.033715
C -2.398156 -0.102418 -0.534159
C -1.282055 0.929523 -0.259496
C 2.035437 0.447004 -0.446727
C -4.477524 -1.314352 0.183468
C -3.914773 0.884701 1.243863
C 3.645136 -0.869359 0.953152
C 4.416206 0.252356 -1.194422
C -2.530379 -1.109431 1.732501
C 1.004776 0.720071 0.666456
C 3.845549 1.622078 0.782797
C -0.858100 1.625099 -1.537587
C -4.026404 -2.615305 -0.446748
C -4.673526 1.724634 0.236740
C 5.047702 -1.031920 1.502102
C 4.160024 -0.969168 -2.051627
H -1.913038 -1.057538 -0.868863
H -3.023599 0.237720 -1.396172
H -1.554978 1.664014 0.533875
H 1.962510 1.229933 -1.237869
H 1.752679 -0.511978 -0.954360
H -5.112102 -0.737814 -0.535002
H -5.124062 -1.524651 1.071857
H -3.089613 1.482355 1.701277
H -4.591702 0.598025 2.087867
H 3.355833 -1.779853 0.372165
H 2.913887 -0.779788 1.792379
H 5.473782 0.241767 -0.825999
H 4.307884 1.183345 -1.801461
H -2.229208 -2.128871 1.417281
H -1.595709 -0.567666 1.976613
H -3.120083 -1.223759 2.661169
H 0.864430 1.797454 0.859900
H 1.261991 0.201940 1.615609
H 3.616311 2.530592 0.195688
H 3.320791 1.700879 1.751290
H 4.930299 1.661766 1.017732
H -1.692983 2.161695 -2.019171
H -0.090423 2.391330 -1.364328
H -0.464270 0.927480 -2.290546
H -4.907208 -3.261610 -0.643540
H -3.368439 -3.217918 0.195356
H -3.538230 -2.493953 -1.422681
H -5.146230 2.590075 0.744895
H -5.507716 1.194387 -0.247722
H -4.044693 2.155450 -0.552251
H 5.819083 -1.150922 0.726791
H 5.364935 -0.219274 2.170589
H 5.112488 -1.952978 2.115445
H 4.293807 -1.922122 -1.518990
H 3.176386 -0.981334 -2.537118
H 4.894568 -1.003471 -2.883479


%chk=000115434-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115434

2 1
O -0.289477 0.027192 0.082798
N -3.333413 -0.563489 0.525436
N 3.529212 0.371444 0.017879
C -2.594208 0.025785 -0.696963
C -1.359119 0.916084 -0.454105
C 2.071623 0.079335 -0.407364
C -4.725835 -1.100441 0.059424
C -3.564317 0.495970 1.641175
C 3.858521 -0.418397 1.319403
C 4.481086 -0.046187 -1.150013
C -2.530690 -1.711889 1.140227
C 0.966155 0.689554 0.487623
C 3.719862 1.871638 0.240824
C -0.955634 1.566473 -1.791989
C -4.693027 -2.212699 -0.994030
C -4.353444 1.743204 1.225906
C 5.299216 -0.281366 1.822677
C 4.440942 -1.526642 -1.537516
H -2.292063 -0.830429 -1.322149
H -3.339043 0.615346 -1.256152
H -1.569555 1.711091 0.290398
H 1.959681 0.445628 -1.442396
H 1.946487 -1.015077 -0.412021
H -5.277903 -0.227086 -0.323717
H -5.224913 -1.448799 0.980846
H -2.562208 0.761424 2.017541
H -4.089161 -0.041567 2.450186
H 3.615993 -1.471542 1.102007
H 3.151457 -0.052214 2.082990
H 5.493675 0.247945 -0.830277
H 4.196129 0.596390 -2.001963
H -2.352318 -2.482959 0.378162
H -1.565154 -1.319131 1.484713
H -3.108931 -2.137128 1.975043
H 0.893848 1.786169 0.368627
H 1.126331 0.459143 1.556788
H 3.347646 2.414955 -0.641805
H 3.175279 2.189338 1.142603
H 4.789852 2.086938 0.370565
H -1.746678 2.247499 -2.153181
H -0.044797 2.179445 -1.677440
H -0.770662 0.804371 -2.569175
H -5.741419 -2.468837 -1.229414
H -4.216178 -3.140579 -0.639458
H -4.227209 -1.901755 -1.943677
H -4.370934 2.430591 2.090089
H -5.404613 1.528190 0.976548
H -3.894653 2.293678 0.387113
H 6.045110 -0.697806 1.126153
H 5.576518 0.756066 2.072424
H 5.380588 -0.863328 2.757784
H 4.759141 -2.196906 -0.721813
H 3.458842 -1.854773 -1.915861
H 5.161267 -1.670957 -2.362275


