%chk=000202839.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202839

0 1
O 0.110300 1.968608 1.363659
N -3.079269 0.510853 0.220508
N -4.991296 -0.597270 -1.670208
C 2.160724 0.869743 1.041882
C 1.211540 -0.464133 -1.012793
C 1.053297 1.703925 0.309017
C 0.458161 0.888548 -0.864643
C 3.205653 0.581911 -0.019941
C 1.544634 -0.465105 1.420318
C 2.691432 -0.137676 -1.133585
C 1.040434 -1.193694 0.308553
C 4.540494 0.956429 0.021508
C 1.442308 -0.983121 2.703621
C 3.520129 -0.473383 -2.194155
C 0.448367 -2.434945 0.490127
C -1.080094 2.709708 0.995067
C -2.185125 2.146076 1.891209
C -2.467886 0.666612 1.581988
C 5.376687 0.612228 -1.056019
C 0.840264 -2.241477 2.883037
C 4.873410 -0.092024 -2.148210
C 0.352053 -2.958405 1.792097
C -4.512246 0.954757 0.208629
C -3.002384 -0.922988 -0.219468
C -5.075434 0.832369 -1.221347
C -3.560352 -1.049543 -1.650717
C -5.564187 -0.745420 -3.041645
H 2.550059 1.424175 1.917066
H 0.828561 -1.041306 -1.875590
H 1.457560 2.675931 -0.039964
H 0.520879 1.457462 -1.805811
H -0.621236 0.696689 -0.683024
H 4.942101 1.503935 0.870717
H 1.814611 -0.427715 3.561026
H 3.138932 -1.025216 -3.049536
H 0.069305 -3.003769 -0.354591
H -0.864743 3.769671 1.211751
H -1.320936 2.579727 -0.073827
H -3.099207 2.759031 1.779538
H -1.871130 2.229086 2.952005
H -3.088617 0.226462 2.390105
H -1.489484 0.122606 1.591889
H 6.426069 0.899757 -1.030211
H 0.758844 -2.655215 3.886324
H 5.529961 -0.354172 -2.975819
H -0.106895 -3.933274 1.943077
H -4.550857 2.017330 0.529743
H -5.148756 0.372867 0.910875
H -3.554468 -1.611169 0.457582
H -1.935106 -1.236218 -0.208501
H -6.144904 1.131416 -1.220904
H -4.535177 1.530490 -1.896694
H -2.916727 -0.479183 -2.354778
H -3.531163 -2.115087 -1.962224
H -5.533195 -1.808737 -3.328714
H -5.059463 -0.160303 -3.824050
H -6.625833 -0.451354 -3.018847


%chk=000202839-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202839

0 1
O -0.053485 1.751815 1.399830
N -3.205783 0.586993 0.502311
N -4.814001 -0.595763 -1.604082
C 2.109841 0.729313 0.998285
C 1.234802 -0.462990 -1.164864
C 0.966220 1.591666 0.354996
C 0.423395 0.866642 -0.925244
C 3.179633 0.584853 -0.081581
C 1.520454 -0.652954 1.269560
C 2.707614 -0.066156 -1.254883
C 1.057518 -1.305604 0.095169
C 4.512063 1.030985 -0.003904
C 1.398289 -1.279013 2.523226
C 3.570325 -0.272725 -2.347535
C 0.475211 -2.584880 0.173887
C -1.127782 2.691564 1.041877
C -2.301024 2.426007 1.992302
C -2.820377 0.974488 1.882767
C 5.383050 0.821062 -1.102956
C 0.820403 -2.570822 2.604764
C 4.914339 0.172300 -2.268908
C 0.361304 -3.221869 1.435430
C -4.453491 1.235717 0.030599
C -3.306453 -0.886757 0.344748
C -4.724047 0.873390 -1.439341
C -3.575262 -1.251059 -1.123661
C -5.166384 -0.988803 -2.980381
H 2.480260 1.221966 1.912149
H 0.879718 -0.981715 -2.072163
H 1.379125 2.588877 0.089363
H 0.513326 1.514271 -1.815545
H -0.644830 0.622782 -0.771082
H 4.875311 1.532791 0.900800
H 1.742772 -0.768474 3.429831
H 3.207586 -0.776529 -3.251465
H 0.119259 -3.087216 -0.733973
H -0.759737 3.736524 1.141130
H -1.456761 2.519965 -0.002218
H -3.103241 3.160300 1.780539
H -1.975500 2.598438 3.036153
H -3.668703 0.832952 2.600257
H -2.001952 0.302642 2.196309
H 6.423849 1.159773 -1.048051
H 0.729078 -3.068123 3.577168
H 5.593911 0.010631 -3.113444
H -0.080702 -4.222439 1.505394
H -4.351448 2.332907 0.118507
H -5.332584 0.920521 0.648497
H -4.129781 -1.309560 0.974073
H -2.353493 -1.342687 0.669878
H -5.681109 1.325624 -1.762013
H -3.905549 1.307401 -2.071724
H -2.686189 -0.947145 -1.737568
H -3.695059 -2.347196 -1.216455
H -5.286944 -2.085912 -3.034721
H -4.398593 -0.687629 -3.739060
H -6.127799 -0.524641 -3.265877


