%chk=000257118.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257118

0 1
O -2.777966 -0.716211 2.015392
O -1.226096 0.237712 -2.429752
O -5.133588 -2.651663 -0.821327
N -0.600765 -0.477372 1.525020
N 0.214880 0.047723 -0.683130
N 1.730634 -0.207898 1.153071
C -2.317446 -0.122761 -0.308729
C -3.140498 -1.279700 -0.908788
C -3.099490 1.212899 -0.310790
C -1.981718 -0.461083 1.139899
C -1.083115 0.067102 -1.245185
C -4.518637 -1.482708 -0.267142
C -2.270686 2.392838 0.181119
C 0.453569 -0.194101 0.593926
C 2.981487 0.036381 0.479222
C 4.123819 0.031975 1.310260
C 3.100986 0.258958 -0.898437
C 5.378578 0.252614 0.743711
C 4.370165 0.478384 -1.442619
C 5.507739 0.476480 -0.631835
H -2.561175 -2.222844 -0.855447
H -3.278448 -1.095594 -2.001406
H -4.011124 1.108713 0.313309
H -3.454852 1.407450 -1.346752
H -4.465882 -1.573183 0.835112
H -5.231825 -0.682185 -0.541485
H -1.929725 2.264573 1.214291
H -1.385486 2.569927 -0.445097
H -2.861827 3.318398 0.153384
H -0.403710 -0.699717 2.506854
H 1.808443 -0.400343 2.155952
H -4.672136 -3.459902 -0.524224
H 4.041528 -0.138864 2.380391
H 2.223621 0.266329 -1.558145
H 6.263914 0.250561 1.379578
H 4.464864 0.652446 -2.515699
H 6.490170 0.648266 -1.066704


%chk=000257118-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257118

0 1
O -2.821394 0.153825 2.210717
O -1.298764 1.434526 -2.143680
O -4.027205 -3.160693 -0.804563
N -0.609131 -0.011598 1.576940
N 0.203791 0.507396 -0.636124
N 1.666468 -0.247762 1.074118
C -2.316260 0.321291 -0.211803
C -2.617417 -1.123718 -0.789697
C -3.545759 1.256154 -0.385329
C -1.976438 0.167734 1.276321
C -1.103558 0.830984 -1.056516
C -3.853958 -1.830859 -0.195073
C -3.296899 2.712192 0.061144
C 0.415407 0.099477 0.604075
C 2.936672 -0.193871 0.418948
C 4.059065 -0.597230 1.192436
C 3.113939 0.230368 -0.923416
C 5.350759 -0.576751 0.630786
C 4.416421 0.247767 -1.467824
C 5.537479 -0.152307 -0.705672
H -1.726457 -1.770240 -0.644088
H -2.762964 -1.014694 -1.880696
H -4.384545 0.838743 0.199142
H -3.825060 1.238097 -1.454136
H -3.789772 -1.901196 0.909103
H -4.780455 -1.297640 -0.455982
H -3.035743 2.765601 1.134064
H -2.491243 3.180487 -0.530178
H -4.211659 3.314156 -0.084813
H -0.394766 -0.132320 2.572767
H 1.708559 -0.604386 2.031962
H -3.255436 -3.732481 -0.560724
H 3.923166 -0.924264 2.232526
H 2.242287 0.534177 -1.505450
H 6.208116 -0.889896 1.236127
H 4.550176 0.577692 -2.503806
H 6.540780 -0.135164 -1.143806


