%chk=000238943.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238943

0 1
O 0.911521 0.002122 2.227498
O -2.086277 2.097932 -1.371584
O -2.074884 -2.105698 -1.372910
N -1.144632 1.200318 0.538328
N -1.141652 -1.202397 0.538476
N -2.274547 3.305815 0.579817
N -2.261896 -3.313100 0.578931
C -0.629572 -0.000397 -0.167635
C 0.888620 0.001566 -0.142831
C 1.638389 0.002770 1.048979
C 1.595007 0.002155 -1.351485
C 3.038312 0.004524 1.060536
C 2.994510 0.003903 -1.364803
C 3.711138 0.005082 -0.164874
C -1.863739 2.177753 -0.174241
C -1.854642 -2.183655 -0.175019
H -1.027958 -0.001019 -1.235485
H -0.813706 1.357571 1.487872
H -0.810971 -1.358137 1.488368
H 1.044609 0.001211 -2.297239
H 3.591544 0.005427 1.993844
H 3.523985 0.004330 -2.316255
H 4.801603 0.006442 -0.180395
H 1.499625 0.002970 3.021506
H -2.429886 3.231907 1.571270
H -2.920383 3.930150 0.109012
H -2.903981 -3.940583 0.107160
H -2.419937 -3.239062 1.569961


%chk=000238943-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238943

0 1
O 0.862856 0.002926 2.274331
O -2.074462 2.106860 -1.434256
O -2.055648 -2.116447 -1.437639
N -1.181912 1.215777 0.545760
N -1.179311 -1.216812 0.545681
N -2.307191 3.280338 0.568248
N -2.293525 -3.287419 0.565787
C -0.669845 0.000155 -0.100754
C 0.861148 0.001791 -0.136375
C 1.616643 0.003070 1.063487
C 1.566233 0.001557 -1.359666
C 3.025649 0.004272 1.059236
C 2.980775 0.002764 -1.389015
C 3.709615 0.004135 -0.179307
C -1.867861 2.188983 -0.186599
C -1.855939 -2.195049 -0.188617
H -1.064416 -0.000383 -1.131973
H -0.873497 1.389560 1.504329
H -0.873723 -1.387921 1.505632
H 0.994639 0.000318 -2.294087
H 3.588762 0.005273 2.002064
H 3.508097 0.002574 -2.348278
H 4.804748 0.005038 -0.192038
H 1.463870 0.003482 3.059156
H -2.268873 3.314498 1.584382
H -2.797562 4.014512 0.064453
H -2.777145 -4.025122 0.060615
H -2.261926 -3.318832 1.582244


