%chk=000199382.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199382

0 1
O 1.436844 0.270544 1.672510
N -1.352635 -0.041824 -1.422175
C 0.889685 -0.540668 -0.472605
C 2.044498 0.082310 0.374545
C -0.355700 0.377605 -0.388422
C -2.779071 0.167396 -1.005097
C 0.554097 -1.953083 0.006535
C 3.231986 -0.869963 0.500009
C 2.530206 1.437170 -0.145850
C -3.103262 -0.858420 0.110797
C -1.070730 0.608834 -2.736135
C -3.117889 1.597761 -0.560495
C 4.174168 -0.982234 -0.531336
C 2.497350 1.747815 -1.512470
C 3.371612 -1.659816 1.650556
C 3.045394 2.380443 0.755879
C -4.584262 -1.004143 0.311238
C 5.251125 -1.864865 -0.405564
C 2.966145 2.983397 -1.967943
C 4.450073 -2.538849 1.775182
C 3.512612 3.615731 0.300886
C -5.222619 -0.371562 1.389457
C -5.343232 -1.779132 -0.581157
C 5.393494 -2.642008 0.747873
C 3.474118 3.920443 -1.063390
C -6.600774 -0.514553 1.571801
C -6.720410 -1.917831 -0.394778
C -7.353084 -1.286621 0.681403
H 1.239200 -0.599986 -1.533245
H -0.057159 1.442978 -0.487033
H -0.791360 0.282672 0.632379
H -3.410784 -0.083937 -1.900331
H 1.378943 -2.651678 -0.167767
H 0.325938 -1.964449 1.079478
H -0.326970 -2.334814 -0.527584
H -2.597223 -0.568947 1.053606
H -2.653597 -1.838985 -0.160522
H -0.061995 0.317143 -3.068719
H -1.779990 0.230486 -3.489200
H -1.127430 1.707587 -2.727136
H -2.898310 2.326142 -1.346769
H -2.560849 1.898520 0.332371
H -4.184292 1.685130 -0.318429
H 2.062907 0.698159 2.295317
H 4.077122 -0.380396 -1.433936
H 2.100262 1.026767 -2.228237
H 2.622324 -1.595543 2.441955
H 3.079453 2.149542 1.821254
H 5.980814 -1.945457 -1.209379
H 2.935006 3.215504 -3.031326
H 4.552721 -3.147371 2.671910
H 3.908717 4.340776 1.010204
H -4.643746 0.231436 2.085652
H -4.855577 -2.274007 -1.418721
H 6.233572 -3.326625 0.844846
H 3.838658 4.882139 -1.418904
H -7.089397 -0.022847 2.411077
H -7.302960 -2.520610 -1.089250
H -8.424942 -1.397103 0.825284


%chk=000199382-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199382

0 1
O 1.525378 0.070485 1.772285
N -1.339782 -0.220081 -1.380664
C 0.977319 -0.653871 -0.465084
C 2.112397 -0.001144 0.409878
C -0.311925 0.219249 -0.404659
C -2.754673 0.077584 -0.994401
C 0.655468 -2.109726 -0.072640
C 3.381653 -0.896032 0.462893
C 2.463955 1.427920 -0.082544
C -3.191283 -0.818298 0.207044
C -1.021149 0.184072 -2.764789
C -3.050343 1.579077 -0.729003
C 4.450166 -0.755668 -0.459837
C 2.628661 1.725450 -1.461975
C 3.487166 -1.904570 1.459698
C 2.660551 2.478303 0.848396
C -4.699373 -0.853254 0.407160
C 5.583150 -1.597015 -0.393730
C 2.983971 3.022312 -1.893152
C 4.623429 -2.740044 1.532575
C 3.021560 3.776510 0.422852
C -5.321268 -0.153194 1.472706
C -5.525674 -1.584890 -0.487370
C 5.678398 -2.592591 0.604135
C 3.188929 4.056321 -0.951745
C -6.725209 -0.177404 1.640498
C -6.928346 -1.612901 -0.325513
C -7.535106 -0.906746 0.740194
H 1.357767 -0.662557 -1.505780
H -0.041632 1.290487 -0.553330
H -0.718093 0.130128 0.616659
H -3.367789 -0.241850 -1.862256
H 1.494891 -2.794491 -0.281711
H 0.406505 -2.175997 1.001545
H -0.223049 -2.437315 -0.655319
H -2.700697 -0.463805 1.133631
H -2.805460 -1.834076 -0.001992
H -0.065640 -0.270350 -3.083634
H -1.806458 -0.185267 -3.448683
H -0.928803 1.290283 -2.904978
H -2.777625 2.200629 -1.601434
H -2.482939 1.947289 0.145705
H -4.125263 1.730650 -0.525068
H 2.260576 0.199132 2.424703
H 4.416006 0.026588 -1.223097
H 2.463928 0.948848 -2.217193
H 2.664611 -2.046424 2.168185
H 2.500353 2.295230 1.915450
H 6.396440 -1.465456 -1.116570
H 3.098242 3.223641 -2.964458
H 4.679930 -3.509873 2.310738
H 3.164756 4.569648 1.165637
H -4.698335 0.412194 2.177100
H -5.061936 -2.145119 -1.309619
H 6.560357 -3.240472 0.658981
H 3.466104 5.062916 -1.283919
H -7.185088 0.368691 2.472335
H -7.547711 -2.187828 -1.023811
H -8.623170 -0.929223 0.869075


