%chk=000298978.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298978

0 1
N 3.472034 -1.377316 1.780217
N -3.639214 -1.100927 0.419484
C 1.439317 -1.139499 0.151612
C 2.396178 -0.858665 -1.062019
C 0.291485 -2.074775 -0.338338
C 0.813261 0.166294 0.663877
C 2.192357 -1.929990 1.271727
C 3.371748 0.314212 -0.823457
C -0.784836 -2.359941 0.716119
C 3.162034 -2.109440 -1.512308
C 0.089195 1.075535 -0.203784
C -2.049822 -2.973415 0.098427
C 0.903224 0.490102 2.002271
C 3.743186 1.022389 -2.125690
C -0.432930 2.285422 0.334299
C -2.920387 -1.919249 -0.613369
C 0.376356 1.699062 2.535896
C -0.165572 0.826539 -1.591028
C -0.266444 2.590534 1.721721
C -1.145281 3.202610 -0.504744
C -0.859102 1.709571 -2.379379
C -1.354861 2.924969 -1.830806
C -3.774471 0.318873 -0.019765
C -4.979549 -1.682668 0.726043
H 1.734454 -0.566739 -1.925585
H -0.189087 -1.625501 -1.232626
H 0.725467 -3.030410 -0.691929
H 2.398346 -2.961670 0.906496
H 1.515162 -2.063198 2.147678
H 2.926490 1.054875 -0.129081
H 4.295169 -0.046201 -0.328771
H -0.387260 -3.037708 1.493929
H -1.069691 -1.425225 1.247697
H 3.699380 -1.915001 -2.448267
H 2.488160 -2.954970 -1.691220
H 3.908460 -2.436190 -0.780331
H -2.639460 -3.460871 0.900454
H -1.784696 -3.774019 -0.615794
H 1.372624 -0.183110 2.722934
H 4.192770 0.334508 -2.849988
H 4.465782 1.826172 -1.943821
H 2.864886 1.477229 -2.599781
H 3.348124 -0.423618 2.112440
H 4.164647 -1.332840 1.033649
H -2.266379 -1.261800 -1.228114
H -3.609956 -2.419133 -1.324767
H 0.496850 1.893422 3.601055
H 0.210171 -0.107083 -2.031429
H -0.666792 3.524835 2.109319
H -1.518427 4.125631 -0.062791
H -1.038787 1.495841 -3.431184
H -1.894602 3.616441 -2.474548
H -4.348737 0.469559 -0.944070
H -2.764511 0.745567 -0.160287
H -4.253765 0.898438 0.784813
H -4.851657 -2.723032 1.064063
H -5.692470 -1.674919 -0.110895
H -5.424670 -1.123104 1.564347


%chk=000298978-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298978

0 1
N 3.338723 -1.405300 1.881653
N -3.587763 -1.025923 0.302581
C 1.402012 -1.124351 0.113689
C 2.445588 -0.889376 -1.077480
C 0.233548 -2.045585 -0.418607
C 0.780905 0.210580 0.645391
C 2.101278 -1.933855 1.274452
C 3.372041 0.352631 -0.908810
C -0.849942 -2.453951 0.612072
C 3.286084 -2.150111 -1.417706
C 0.085223 1.183628 -0.197943
C -2.110651 -3.049553 -0.064479
C 0.830678 0.491706 2.024021
C 3.976086 0.849697 -2.242613
C -0.480308 2.384004 0.407888
C -3.036029 -1.978557 -0.690370
C 0.272768 1.665552 2.612631
C -0.100476 1.050161 -1.620453
C -0.368182 2.606914 1.817311
C -1.161021 3.355041 -0.400812
C -0.769322 2.009498 -2.384932
C -1.307600 3.182583 -1.775834
C -4.084595 0.216359 -0.321997
C -4.589432 -1.629264 1.201337
H 1.843731 -0.696687 -1.987739
H -0.267254 -1.538037 -1.263126
H 0.682363 -2.968978 -0.838996
H 2.340500 -2.936705 0.878074
H 1.364095 -2.112570 2.077702
H 2.800540 1.180982 -0.452901
H 4.191839 0.115539 -0.202603
H -0.434960 -3.198832 1.318163
H -1.166439 -1.576311 1.206177
H 3.832233 -1.993399 -2.365599
H 2.659741 -3.050040 -1.551195
H 4.041897 -2.375943 -0.643104
H -2.682428 -3.644513 0.674172
H -1.814253 -3.760448 -0.863992
H 1.293326 -0.219470 2.712000
H 4.607319 0.081866 -2.726662
H 4.607050 1.743066 -2.080227
H 3.176795 1.131068 -2.954638
H 3.288141 -0.428876 2.186158
H 4.184592 -1.581234 1.333923
H -2.459539 -1.384998 -1.425966
H -3.853299 -2.491824 -1.264270
H 0.354812 1.810090 3.695512
H 0.289065 0.175537 -2.139692
H -0.800371 3.516986 2.249724
H -1.568582 4.245320 0.093676
H -0.880260 1.857661 -3.464575
H -1.827672 3.931687 -2.382612
H -4.962148 0.053960 -1.000712
H -3.277004 0.688436 -0.908710
H -4.392568 0.929434 0.464414
H -4.152344 -2.480224 1.751085
H -5.500154 -1.998360 0.660475
H -4.914474 -0.880307 1.945673


