%chk=000236982.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236982

0 1
O 1.373709 -3.871278 -0.029370
O -0.836985 -4.152315 0.014789
N -2.396917 0.876202 0.110412
N 2.297036 1.074115 -0.110877
N -0.047414 0.923459 -0.000730
C -1.202298 0.170943 0.057994
C 1.165695 0.270551 -0.060412
C -2.423806 2.363648 0.106612
C -3.703069 0.177673 0.223993
C 3.657077 0.488550 -0.226825
C 2.198471 2.558537 -0.105413
C -1.171632 -1.255918 0.053278
C 1.256029 -1.154878 -0.058457
C 0.071517 -1.876450 -0.003277
C -2.363985 2.928728 1.525656
C -4.256337 -0.198607 -1.150116
C 4.241726 0.159146 1.146547
C 2.090688 3.118435 -1.523671
C 0.087804 -3.371945 -0.003800
H -1.559739 2.745877 -0.489972
H -3.347941 2.699678 -0.412472
H -4.418137 0.841347 0.760626
H -3.590391 -0.734269 0.856706
H 3.621054 -0.428993 -0.860231
H 4.313144 1.210740 -0.763336
H 3.090975 2.970759 0.414018
H 1.305244 2.865614 0.491757
H -2.082606 -1.845017 0.088330
H 2.213145 -1.665182 -0.094526
H -3.195539 2.580421 2.146595
H -1.434032 2.622381 2.026329
H -2.386853 4.023257 1.514497
H -4.416576 0.682717 -1.781620
H -3.566833 -0.858234 -1.695194
H -5.212807 -0.725096 -1.060023
H 4.326401 1.050680 1.778598
H 3.610450 -0.556381 1.691508
H 5.239587 -0.283186 1.055563
H 2.948603 2.843033 -2.145244
H 1.189862 2.734963 -2.024576
H 2.020267 4.210940 -1.510945
H 1.386915 -4.865845 -0.029521


%chk=000236982-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236982

0 1
O 1.395413 -3.946674 -0.007936
O -0.911876 -4.158847 -0.006359
N -2.391784 0.865941 0.091279
N 2.295506 1.074141 -0.090453
N -0.043982 0.881930 -0.000202
C -1.200479 0.145922 0.037580
C 1.172027 0.250908 -0.038734
C -2.376474 2.343653 0.053689
C -3.699661 0.194631 0.210064
C 3.656865 0.522248 -0.216125
C 2.149221 2.544617 -0.050284
C -1.180723 -1.283862 0.014719
C 1.281309 -1.176171 -0.018655
C 0.080683 -1.919352 -0.002783
C -2.256086 2.980317 1.456611
C -4.308620 -0.218479 -1.150991
C 4.305137 0.157137 1.140444
C 1.983117 3.172257 -1.452653
C 0.095273 -3.409265 -0.005507
H -1.521378 2.661616 -0.565654
H -3.307484 2.680904 -0.442054
H -4.387045 0.891919 0.725043
H -3.604791 -0.688391 0.868903
H 3.638938 -0.362026 -0.880163
H 4.278709 1.280047 -0.728992
H 3.042589 2.962442 0.453417
H 1.264707 2.783344 0.562950
H -2.082432 -1.896993 0.000991
H 2.237231 -1.697845 -0.004367
H -3.086733 2.665449 2.114978
H -1.305296 2.674492 1.925175
H -2.274544 4.084184 1.385209
H -4.439218 0.663293 -1.803986
H -3.654730 -0.936510 -1.675540
H -5.297793 -0.691406 -1.006582
H 4.365814 1.044249 1.796471
H 3.715483 -0.614019 1.665756
H 5.329736 -0.231056 0.989657
H 2.842087 2.932108 -2.106183
H 1.065218 2.787397 -1.928469
H 1.905958 4.273391 -1.378541
H 1.321608 -4.938844 -0.008524


