%chk=000201642.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201642

0 1
O -5.298452 0.948833 0.102701
O -0.984916 1.775248 -1.596553
O 1.743548 -1.195349 1.121760
O -1.277946 -4.464314 0.805429
O -2.147462 -2.457721 1.260163
N -2.483692 1.335999 0.053735
N 0.941347 0.271298 -0.425138
C -0.465446 -0.152090 -0.244446
C -3.101501 0.443600 1.064671
C -3.399681 2.406880 -0.427941
C -1.338010 1.048390 -0.672593
C -0.820400 -1.369457 -1.127194
C -4.427793 -0.119212 0.528663
C -4.717570 1.786111 -0.917804
C -0.412430 -2.688922 -0.472316
C 1.971202 -0.297301 0.321550
C -1.365577 -3.108733 0.600008
C 3.330803 0.276920 0.074039
C 4.102473 0.651641 1.182834
C 3.842965 0.408694 -1.223360
C 5.383205 1.176320 0.988974
C 5.126415 0.929614 -1.409650
C 5.894023 1.316597 -0.305604
H -0.631533 -0.417718 0.841858
H -2.414719 -0.391169 1.353510
H -3.285353 1.042373 1.987247
H -3.588079 3.107151 0.416770
H -2.906462 2.990886 -1.241555
H -1.908688 -1.372454 -1.344777
H -0.321534 -1.275509 -2.114867
H -4.275359 -0.820875 -0.308470
H -5.021796 -0.606271 1.323976
H -5.504230 2.546794 -1.072151
H -4.580314 1.192282 -1.837888
H 1.104436 1.006958 -1.120953
H 0.610097 -2.598513 -0.004956
H -0.303010 -3.494329 -1.230726
H 3.702677 0.523750 2.190875
H 3.252365 0.099245 -2.085202
H -1.863721 -4.783222 1.544308
H 5.984238 1.471719 1.848148
H 5.529115 1.033321 -2.416326
H 6.893262 1.725135 -0.454749


%chk=000201642-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201642

0 1
O -5.505813 1.132280 -0.055147
O -0.840420 1.867273 -1.540111
O 1.655650 -1.056812 1.354153
O -0.250351 -4.239657 1.401577
O -1.771110 -2.503731 1.564034
N -2.628296 1.245521 -0.185342
N 0.871678 0.176643 -0.446861
C -0.538158 -0.152888 -0.202165
C -3.294801 0.427849 0.858057
C -3.446729 2.389285 -0.657169
C -1.354077 1.070934 -0.679153
C -0.993530 -1.421526 -0.992545
C -4.683495 -0.017622 0.354082
C -4.824592 1.884739 -1.123713
C -0.368648 -2.727329 -0.466853
C 1.883921 -0.250677 0.388157
C -0.877802 -3.097870 0.911354
C 3.272334 0.270315 0.109025
C 4.283929 -0.057299 1.047952
C 3.612008 1.049778 -1.028669
C 5.607542 0.391085 0.861781
C 4.938095 1.496638 -1.215846
C 5.939057 1.171253 -0.271149
H -0.661136 -0.336713 0.879083
H -2.700770 -0.460911 1.124222
H -3.422628 1.051949 1.765206
H -3.576688 3.105304 0.178378
H -2.898668 2.887736 -1.473722
H -2.095916 -1.501040 -0.951987
H -0.712525 -1.281198 -2.052649
H -4.566777 -0.719717 -0.501057
H -5.246440 -0.514228 1.160406
H -5.492226 2.728454 -1.362331
H -4.706488 1.240026 -2.021609
H 1.001179 0.920261 -1.144057
H 0.731043 -2.658914 -0.407713
H -0.594848 -3.569753 -1.149206
H 3.999960 -0.666629 1.912164
H 2.863418 1.308327 -1.786480
H -0.577084 -4.428091 2.322994
H 6.379255 0.134166 1.595674
H 5.190200 2.095390 -2.097924
H 6.967245 1.519999 -0.418846


