%chk=000212417.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212417

0 1
O 4.516547 0.011471 -0.408417
O 4.197659 -0.344782 1.822103
N 0.153862 0.988529 0.005427
N -3.535795 0.249784 -0.144391
N 2.965231 1.295891 0.692015
C -1.095797 0.258466 -0.386270
C -2.292024 0.936247 0.320837
C 0.665978 0.506591 1.330791
C 1.211730 0.838928 -1.048130
C 1.901347 1.334081 1.738138
C 2.447160 1.673566 -0.652637
C -3.856378 -0.945247 0.701950
C -4.713460 1.163894 -0.305831
C -4.667395 -1.974222 -0.127623
C -5.085958 1.954421 0.960612
C -4.452504 2.113457 -1.483508
C -3.791638 -2.624033 -1.203289
C -5.263491 -3.034256 0.807343
C 3.888567 0.235603 0.797978
C 5.680545 -0.908636 -0.394849
C 6.408731 -0.522698 -1.671315
C 5.152899 -2.332536 -0.382967
H -1.247558 0.333876 -1.485816
H -1.067057 -0.826822 -0.155970
H -2.312816 2.012286 0.036255
H -2.163725 0.914579 1.422488
H 0.916312 -0.576492 1.334918
H -0.137915 0.654178 2.084635
H 0.801343 1.227757 -2.005511
H 1.507954 -0.217337 -1.224947
H 1.622778 2.404030 1.876801
H 2.315785 0.965689 2.704361
H 3.253525 1.558671 -1.411486
H 2.180485 2.755057 -0.605695
H -4.416797 -0.674739 1.622477
H -2.910947 -1.417512 1.042782
H -5.583556 0.501666 -0.577381
H -5.507794 -1.435316 -0.636305
H -6.003533 2.531207 0.806143
H -5.255405 1.289827 1.813806
H -4.304221 2.665005 1.246979
H -5.351653 2.682568 -1.736336
H -4.144794 1.550077 -2.373758
H -3.652614 2.830699 -1.266905
H -3.321430 -1.851549 -1.827625
H -4.378705 -3.273259 -1.859425
H -2.989417 -3.227671 -0.768836
H -5.945101 -2.591489 1.540377
H -5.832703 -3.780144 0.241260
H -4.486413 -3.573825 1.358970
H 6.270700 -0.678229 0.520326
H 6.698134 0.536538 -1.656803
H 7.315972 -1.121616 -1.807345
H 5.774889 -0.665188 -2.556277
H 4.639639 -2.546992 0.567343
H 5.961196 -3.063266 -0.493784
H 4.430925 -2.506083 -1.189384


%chk=000212417-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212417

0 1
O 4.877277 0.016142 -0.434974
O 4.451682 -0.421050 1.842260
N 0.019227 0.629451 -0.165956
N -3.790078 0.387440 -0.075817
N 2.818627 0.539696 0.456817
C -1.342951 0.174894 -0.545175
C -2.446924 0.942809 0.218410
C 0.491173 0.028816 1.108519
C 1.023546 0.411863 -1.237975
C 1.827007 0.659833 1.542948
C 2.372904 1.052658 -0.853001
C -4.141070 -0.793778 0.751180
C -4.892027 1.392056 -0.196862
C -5.012914 -1.849384 0.016459
C -5.055433 2.311790 1.048747
C -4.746800 2.222807 -1.490740
C -4.251591 -2.472368 -1.173569
C -5.483471 -2.930630 1.017275
C 4.065420 0.011219 0.718688
C 6.244029 -0.585368 -0.269104
C 7.105235 0.071753 -1.351009
C 6.141787 -2.112361 -0.396816
H -1.491214 0.357951 -1.625178
H -1.470397 -0.925359 -0.389817
H -2.400927 1.997396 -0.102977
H -2.224426 0.941278 1.312233
H 0.625767 -1.079198 1.008152
H -0.261648 0.207492 1.896658
H 0.655031 0.880077 -2.169220
H 1.185205 -0.678400 -1.439937
H 1.663841 1.732112 1.772783
H 2.233316 0.158891 2.436171
H 3.142094 0.830518 -1.606129
H 2.239965 2.151866 -0.786929
H -4.660225 -0.496848 1.697380
H -3.199450 -1.290450 1.059398
H -5.822362 0.798347 -0.295684
H -5.913225 -1.336665 -0.382822
H -5.960998 2.939010 0.952179
H -5.152800 1.718692 1.977198
H -4.188324 2.988662 1.161982
H -5.618805 2.889757 -1.624113
H -4.673446 1.553604 -2.365515
H -3.842720 2.859622 -1.467376
H -3.873422 -1.678443 -1.841203
H -4.904153 -3.147546 -1.757964
H -3.386391 -3.065077 -0.815089
H -6.070619 -2.490348 1.845673
H -6.115520 -3.686595 0.516163
H -4.617068 -3.459630 1.460290
H 6.595479 -0.317003 0.744324
H 7.120726 1.168129 -1.227448
H 8.142669 -0.303575 -1.285671
H 6.713998 -0.161532 -2.357371
H 5.496231 -2.522216 0.397850
H 7.143658 -2.569885 -0.298169
H 5.726803 -2.392220 -1.381831


