%chk=000212703.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212703

0 1
O 0.436795 2.311795 -1.425651
O -1.095025 -1.159256 1.388939
N -3.306010 1.195375 0.240542
N -5.903238 -0.036870 -0.009255
N 1.453302 0.482314 -0.359118
N 0.989353 -0.498383 0.582353
C -3.719302 0.107522 1.163409
C -4.477781 1.967158 -0.277382
C -4.720790 -0.830509 0.464576
C -5.462938 1.014193 -0.984828
C -2.085676 1.412386 -0.283926
C -0.870066 0.790816 -0.058428
C -6.922266 -0.932457 -0.629859
C 0.329301 1.353100 -0.694946
C -0.468303 -0.378151 0.701592
C 2.770846 1.041977 -0.128003
C 1.609699 -1.807638 0.514981
C 3.276003 1.904242 -1.121143
C 1.292385 -2.713950 1.545664
C 3.549360 0.711402 0.993669
C 2.528886 -2.160301 -0.487475
C 4.564550 2.419920 -0.984379
C 1.907379 -3.965711 1.565784
C 4.839680 1.234115 1.106635
C 3.138163 -3.416207 -0.443661
C 5.351693 2.085358 0.123174
C 2.832740 -4.320295 0.577975
H -4.186538 0.573900 2.062652
H -2.837072 -0.480913 1.530689
H -4.156356 2.775805 -0.967018
H -4.981844 2.456638 0.591701
H -4.212803 -1.396774 -0.346157
H -5.081445 -1.582133 1.202658
H -6.360486 1.590315 -1.302501
H -5.001506 0.597619 -1.906175
H -2.028311 2.272668 -1.000878
H -7.267744 -1.657213 0.126880
H -6.577620 -1.493073 -1.511459
H -7.801507 -0.333501 -0.918986
H 2.657686 2.176962 -1.980233
H 0.561112 -2.442130 2.310677
H 3.158462 0.055855 1.771992
H 2.769851 -1.466516 -1.293213
H 4.958128 3.088757 -1.749082
H 1.663275 -4.670207 2.360067
H 5.447848 0.975524 1.972746
H 3.855491 -3.690474 -1.216372
H 6.356796 2.488376 0.219203
H 3.311244 -5.296128 0.604371


%chk=000212703-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212703

0 1
O 0.402498 2.392839 -1.344944
O -1.121547 -1.358698 1.328589
N -3.358198 1.101153 0.134646
N -6.026046 0.026342 -0.038653
N 1.440459 0.525813 -0.272948
N 0.975067 -0.561418 0.549482
C -3.795954 0.034852 1.073090
C -4.486231 1.935732 -0.354900
C -4.897592 -0.820764 0.417055
C -5.563370 1.043925 -1.006305
C -2.096151 1.334262 -0.289071
C -0.865492 0.714279 -0.038935
C -7.169078 -0.761578 -0.539874
C 0.322526 1.333489 -0.655186
C -0.449676 -0.476681 0.703408
C 2.778036 1.024747 -0.114299
C 1.694936 -1.807071 0.548128
C 3.325771 1.843523 -1.135763
C 1.488298 -2.719559 1.614132
C 3.540511 0.718786 1.041767
C 2.591923 -2.126644 -0.502772
C 4.630779 2.358590 -0.985212
C 2.172500 -3.953913 1.611885
C 4.849503 1.229583 1.167860
C 3.278916 -3.358496 -0.481644
C 5.402603 2.052155 0.159642
C 3.073185 -4.279702 0.571233
H -4.208122 0.527780 1.975051
H -2.932427 -0.593386 1.349836
H -4.108778 2.679160 -1.076974
H -4.934260 2.464489 0.508241
H -4.448762 -1.406700 -0.424610
H -5.272029 -1.542491 1.165339
H -6.420829 1.676527 -1.301916
H -5.140901 0.582927 -1.936715
H -1.998533 2.198058 -0.965250
H -7.519875 -1.447376 0.251456
H -6.924952 -1.372921 -1.444132
H -8.003153 -0.084640 -0.797756
H 2.723748 2.085117 -2.014058
H 0.788271 -2.466728 2.412724
H 3.114122 0.095392 1.832189
H 2.746584 -1.422493 -1.324806
H 5.046201 2.997109 -1.772733
H 2.004087 -4.659242 2.433246
H 5.435128 0.986179 2.061412
H 3.973759 -3.598359 -1.294135
H 6.419176 2.446512 0.263962
H 3.608772 -5.235159 0.582019


