%chk=000277629.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277629

0 1
O -1.144952 1.755593 -1.596919
O -0.937143 -2.399907 0.754524
O -4.870051 -0.136267 0.241571
N -2.978260 0.830423 -0.656416
N -2.880135 -1.271234 0.505430
C 1.323459 1.260681 0.202422
C 0.192142 0.403803 0.812006
C 2.271528 0.426939 -0.682138
C -0.730660 -0.218947 -0.262230
C 2.073768 1.990075 1.336852
C 2.958233 -0.735568 0.044011
C 3.937841 -1.473901 -0.879253
C 2.952421 3.123017 0.813507
C -1.574664 0.864423 -0.901970
C -1.468717 -1.387920 0.361022
C 4.605852 -2.647747 -0.166937
C -3.675879 -0.184372 0.051592
H 0.852971 2.037648 -0.459644
H -0.410222 1.013473 1.513053
H 0.637740 -0.414346 1.420331
H 1.707144 0.040507 -1.554881
H 3.040199 1.103667 -1.108363
H -0.063235 -0.645453 -1.076385
H 1.346823 2.401825 2.064517
H 2.694190 1.267772 1.904374
H 3.496945 -0.357053 0.935214
H 2.201624 -1.446956 0.429922
H 4.711062 -0.771768 -1.247978
H 3.406536 -1.838578 -1.780014
H 3.729820 2.751618 0.134768
H 3.457932 3.642593 1.635572
H 2.367556 3.869943 0.263747
H -3.551264 1.599468 -1.042421
H -3.380976 -2.045270 0.973026
H 3.869055 -3.382277 0.179074
H 5.301678 -3.171020 -0.832301
H 5.175237 -2.318386 0.709515


%chk=000277629-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277629

0 1
O -0.966524 1.222798 -2.042082
O -1.052545 -2.426585 1.104472
O -4.863820 0.103356 0.237247
N -2.865104 0.701302 -0.821728
N -2.920252 -1.116009 0.693683
C 1.273334 1.306464 0.237862
C 0.141197 0.429224 0.839520
C 2.244424 0.502066 -0.673271
C -0.711562 -0.387077 -0.207249
C 1.988222 2.037683 1.412593
C 2.953964 -0.705829 -0.016159
C 3.935581 -1.407780 -0.984006
C 3.028421 3.088341 0.968549
C -1.492141 0.555777 -1.114056
C -1.548289 -1.407186 0.560275
C 4.632863 -2.631881 -0.352700
C -3.635746 -0.083532 0.057182
H 0.809476 2.085027 -0.402101
H -0.541715 1.066773 1.436561
H 0.574331 -0.317625 1.531422
H 1.691252 0.159211 -1.571400
H 3.013614 1.197543 -1.063549
H -0.001855 -0.950886 -0.836014
H 1.216475 2.542204 2.029991
H 2.473560 1.294191 2.076561
H 3.512608 -0.376630 0.883690
H 2.210547 -1.450870 0.335919
H 4.698647 -0.676964 -1.322031
H 3.385131 -1.722740 -1.894358
H 3.887166 2.625383 0.450319
H 3.426056 3.638719 1.840975
H 2.577641 3.827670 0.279787
H -3.385165 1.402584 -1.359534
H -3.478128 -1.744150 1.281473
H 3.891396 -3.389246 -0.035566
H 5.326514 -3.114930 -1.065291
H 5.216026 -2.339897 0.541213


