%chk=000245677.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245677

0 1
O 0.475396 0.912863 1.382396
N 1.490358 1.516948 -0.568132
C -3.311983 0.174897 -0.545766
C -4.510742 -0.088399 0.375926
C -2.053417 0.503182 0.264876
C -5.774751 -0.419224 -0.428426
C -0.850592 0.772539 -0.648835
C -6.973707 -0.682757 0.493616
C 0.394937 1.041377 0.172558
C -8.235584 -1.012648 -0.300585
C 2.806153 1.700430 0.090807
C 3.654478 0.454594 -0.017941
C 3.349042 -0.658723 0.779886
C 4.737213 0.402648 -0.904964
C 4.125657 -1.815419 0.689692
C 5.513314 -0.757992 -0.990091
C 5.209203 -1.866694 -0.194909
H -3.546703 1.007036 -1.237143
H -3.131134 -0.709613 -1.186561
H -4.276833 -0.919612 1.069385
H -4.693100 0.795096 1.018227
H -2.229400 1.382961 0.916572
H -1.811168 -0.325889 0.961837
H -6.010828 0.411290 -1.121005
H -5.594633 -1.303220 -1.069755
H -0.677325 -0.098866 -1.313176
H -1.070128 1.629788 -1.317212
H -7.156545 0.201442 1.135277
H -6.739962 -1.514953 1.186301
H -8.101369 -1.907701 -0.918490
H -8.517739 -0.191922 -0.969701
H -9.085114 -1.198925 0.365998
H 1.511874 1.446499 -1.578947
H 2.637755 1.954116 1.169744
H 3.308104 2.582132 -0.365735
H 2.500572 -0.611615 1.468657
H 4.981078 1.261718 -1.525982
H 3.888458 -2.677935 1.310627
H 6.356603 -0.796232 -1.677255
H 5.814662 -2.768316 -0.261971


%chk=000245677-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245677

0 1
O 0.355914 0.380311 1.842066
N 1.380168 0.712886 -0.221144
C -3.470805 -0.330174 -0.263619
C -4.801585 0.244175 0.272703
C -2.229797 0.342449 0.361981
C -6.050028 -0.425585 -0.344515
C -0.901295 -0.238096 -0.178438
C -7.380585 0.143425 0.199174
C 0.315320 0.309952 0.574305
C -8.623329 -0.527554 -0.425050
C 2.640071 1.227308 0.343469
C 3.856386 0.396626 -0.052643
C 3.866728 -1.007067 0.155909
C 5.001811 1.014113 -0.611933
C 5.000476 -1.774853 -0.186628
C 6.140155 0.247559 -0.954704
C 6.142256 -1.149724 -0.743578
H -3.442563 -0.216829 -1.368137
H -3.436620 -1.421686 -0.061867
H -4.830174 0.127716 1.376102
H -4.836057 1.336128 0.075310
H -2.260509 1.434100 0.170380
H -2.238469 0.215997 1.460828
H -6.025232 -0.304715 -1.448119
H -6.014676 -1.518415 -0.151284
H -0.911822 -1.337660 -0.034166
H -0.813747 -0.056335 -1.268037
H -7.413478 1.235845 0.009512
H -7.405545 0.019138 1.301082
H -8.628249 -1.615784 -0.224581
H -8.638470 -0.389747 -1.522913
H -9.560616 -0.104913 -0.018482
H 1.307307 0.616220 -1.235342
H 2.489953 1.214852 1.440007
H 2.788401 2.281626 0.038604
H 2.985047 -1.490610 0.593092
H 5.005016 2.098972 -0.778267
H 4.998473 -2.857434 -0.015959
H 7.019676 0.738523 -1.386433
H 7.022594 -1.745838 -1.008887


